(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C21H35N3O3 — CID 29255872

IUPAC(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C21H35N3O3/c25-20-8-7-19(21(26)22-10-9-18-5-2-1-3-6-18)17-24(20)12-4-11-23-13-15-27-16-14-23/h5,19H,1-4,6-17H2,(H,22,26)/t19-/m0/s1
InChIKeyPVQWVEKMNLPUDA-IBGZPJMESA-N
MW377.53 g/mol
LogP1.95
Rot. Bonds8

About (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 29255872) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID29255872
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C21H35N3O3/c25-20-8-7-19(21(26)22-10-9-18-5-2-1-3-6-18)17-24(20)12-4-11-23-13-15-27-16-14-23/h5,19H,1-4,6-17H2,(H,22,26)/t19-/m0/s1
InChIKeyPVQWVEKMNLPUDA-IBGZPJMESA-N
XLogP1.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 29255872) is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is O=C(NCCC1=CCCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is PVQWVEKMNLPUDA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H35N3O3/c25-20-8-7-19(21(26)22-10-9-18-5-2-1-3-6-18)17-24(20)12-4-11-23-13-15-27-16-14-23/h5,19H,1-4,6-17H2,(H,22,26)/t19-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 29255872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).