1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C18H33N3O — CID 3229558

IUPAC1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H33N3O/c1-16(18(22)21-12-6-3-7-13-21)19-14-8-17(9-15-19)20-10-4-2-5-11-20/h16-17H,2-15H2,1H3
InChIKeyNFYDAMWQHAUDID-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.34
Rot. Bonds3

About 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 3229558) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID3229558
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H33N3O/c1-16(18(22)21-12-6-3-7-13-21)19-14-8-17(9-15-19)20-10-4-2-5-11-20/h16-17H,2-15H2,1H3
InChIKeyNFYDAMWQHAUDID-UHFFFAOYSA-N
XLogP2.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 3229558) is 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is CC(C(=O)N1CCCCC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is NFYDAMWQHAUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-16(18(22)21-12-6-3-7-13-21)19-14-8-17(9-15-19)20-10-4-2-5-11-20/h16-17H,2-15H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 307.48 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3229558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).