(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one

C19H29N3O — CID 142706599

IUPAC(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN[C@H](c2ccccc2)CN1CCCN1CCCCC1
InChIInChI=1S/C19H29N3O/c23-19-10-11-20-18(17-8-3-1-4-9-17)16-22(19)15-7-14-21-12-5-2-6-13-21/h1,3-4,8-9,18,20H,2,5-7,10-16H2/t18-/m0/s1
InChIKeyIORJZWSQWXBWGH-SFHVURJKSA-N
MW315.46 g/mol
LogP2.43
Rot. Bonds5

About (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one

(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one (PubChem CID 142706599) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
PubChem CID142706599
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN[C@H](c2ccccc2)CN1CCCN1CCCCC1
InChIInChI=1S/C19H29N3O/c23-19-10-11-20-18(17-8-3-1-4-9-17)16-22(19)15-7-14-21-12-5-2-6-13-21/h1,3-4,8-9,18,20H,2,5-7,10-16H2/t18-/m0/s1
InChIKeyIORJZWSQWXBWGH-SFHVURJKSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
n,n'-Dibenzylmalonamide
CID 735256
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567
1-Benzyl-4-(cyclohexylamino)piperidine-4-carboxamide
CID 70584

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one?
The IUPAC name of (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one (CID 142706599) is (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one is O=C1CCN[C@H](c2ccccc2)CN1CCCN1CCCCC1.
What is the InChIKey of (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one?
The InChIKey is IORJZWSQWXBWGH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19-10-11-20-18(17-8-3-1-4-9-17)16-22(19)15-7-14-21-12-5-2-6-13-21/h1,3-4,8-9,18,20H,2,5-7,10-16H2/t18-/m0/s1.
What are the key properties of (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one?
(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one has a molecular weight of 315.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 142706599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).