2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

C17H31N3O — CID 64678060

IUPAC2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CCC(N3CCCCC3)C2)CCCCC1
InChIInChI=1S/C17H31N3O/c18-17(8-3-1-4-9-17)13-16(21)20-12-7-15(14-20)19-10-5-2-6-11-19/h15H,1-14,18H2
InChIKeyGCGSIPKODXAPFF-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.12
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 64678060) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID64678060
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CCC(N3CCCCC3)C2)CCCCC1
InChIInChI=1S/C17H31N3O/c18-17(8-3-1-4-9-17)13-16(21)20-12-7-15(14-20)19-10-5-2-6-11-19/h15H,1-14,18H2
InChIKeyGCGSIPKODXAPFF-UHFFFAOYSA-N
XLogP2.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79854172
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107029391
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
CID 79308679
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
CID 75494695
2-(1-aminocyclopentyl)-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 113417335
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone (CID 64678060) is 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone is NC1(CC(=O)N2CCC(N3CCCCC3)C2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is GCGSIPKODXAPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c18-17(8-3-1-4-9-17)13-16(21)20-12-7-15(14-20)19-10-5-2-6-11-19/h15H,1-14,18H2.
What are the key properties of 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 64678060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).