1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one

C68H95N9O4 — CID 160902114

IUPAC1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one
SMILESCC(=O)N1CCCCC1C1CCN(CCc2ccccc2N2CCCCC2=O)C1.O=C1CCCCN1c1ccccc1CCN1CCC(C2CCCCN2)C1.O=C1CCCCN1c1ccccc1CCN1CCC(c2ccccn2)C1
InChIInChI=1S/C24H35N3O2.C22H33N3O.C22H27N3O/c1-19(28)26-14-6-4-10-23(26)21-13-17-25(18-21)16-12-20-8-2-3-9-22(20)27-15-7-5-11-24(27)29;2*26-22-10-4-6-14-25(22)21-9-2-1-7-18(21)11-15-24-16-12-19(17-24)20-8-3-5-13-23-20/h2-3,8-9,21,23H,4-7,10-18H2,1H3;1-2,7,9,19-20,23H,3-6,8,10-17H2;1-3,5,7-9,13,19H,4,6,10-12,14-17H2
InChIKeySPQJIWSKFJTOAW-UHFFFAOYSA-N
MW1102.57 g/mol
LogP10.31
Rot. Bonds15

About 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one

1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one (PubChem CID 160902114) has the molecular formula C68H95N9O4 and a molecular weight of 1102.57 g/mol. Its IUPAC name is 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one
PubChem CID160902114
Molecular FormulaC68H95N9O4
Molecular Weight1102.57 g/mol
Exact Mass1101.75
IUPAC Name1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one
SMILESCC(=O)N1CCCCC1C1CCN(CCc2ccccc2N2CCCCC2=O)C1.O=C1CCCCN1c1ccccc1CCN1CCC(C2CCCCN2)C1.O=C1CCCCN1c1ccccc1CCN1CCC(c2ccccn2)C1
InChIInChI=1S/C24H35N3O2.C22H33N3O.C22H27N3O/c1-19(28)26-14-6-4-10-23(26)21-13-17-25(18-21)16-12-20-8-2-3-9-22(20)27-15-7-5-11-24(27)29;2*26-22-10-4-6-14-25(22)21-9-2-1-7-18(21)11-15-24-16-12-19(17-24)20-8-3-5-13-23-20/h2-3,8-9,21,23H,4-7,10-18H2,1H3;1-2,7,9,19-20,23H,3-6,8,10-17H2;1-3,5,7-9,13,19H,4,6,10-12,14-17H2
InChIKeySPQJIWSKFJTOAW-UHFFFAOYSA-N
XLogP10.31
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.57
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one (CID 160902114) is 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one is CC(=O)N1CCCCC1C1CCN(CCc2ccccc2N2CCCCC2=O)C1.O=C1CCCCN1c1ccccc1CCN1CCC(C2CCCCN2)C1.O=C1CCCCN1c1ccccc1CCN1CCC(c2ccccn2)C1.
What is the InChIKey of 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one?
The InChIKey is SPQJIWSKFJTOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2.C22H33N3O.C22H27N3O/c1-19(28)26-14-6-4-10-23(26)21-13-17-25(18-21)16-12-20-8-2-3-9-22(20)27-15-7-5-11-24(27)29;2*26-22-10-4-6-14-25(22)21-9-2-1-7-18(21)11-15-24-16-12-19(17-24)20-8-3-5-13-23-20/h2-3,8-9,21,23H,4-7,10-18H2,1H3;1-2,7,9,19-20,23H,3-6,8,10-17H2;1-3,5,7-9,13,19H,4,6,10-12,14-17H2.
What are the key properties of 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one?
1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one has a molecular weight of 1102.57 g/mol, XLogP of 10.31, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(1-acetylpiperidin-2-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-piperidin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one;1-[2-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]phenyl]piperidin-2-one is sourced from PubChem (CID 160902114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).