1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone

C19H32N2O3 — CID 95907445

IUPAC1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESO=C(CC1(O)CCCC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1
InChIInChI=1S/C19H32N2O3/c22-17(14-19(24)9-3-4-10-19)21-13-7-8-16(15-21)18(23)20-11-5-1-2-6-12-20/h16,24H,1-15H2/t16-/m1/s1
InChIKeyIMAMKORUYSNXTO-MRXNPFEDSA-N
MW336.48 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone

1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 95907445) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
PubChem CID95907445
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESO=C(CC1(O)CCCC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1
InChIInChI=1S/C19H32N2O3/c22-17(14-19(24)9-3-4-10-19)21-13-7-8-16(15-21)18(23)20-11-5-1-2-6-12-20/h16,24H,1-15H2/t16-/m1/s1
InChIKeyIMAMKORUYSNXTO-MRXNPFEDSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone (CID 95907445) is 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone is O=C(CC1(O)CCCC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is IMAMKORUYSNXTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-17(14-19(24)9-3-4-10-19)21-13-7-8-16(15-21)18(23)20-11-5-1-2-6-12-20/h16,24H,1-15H2/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 336.48 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 95907445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).