(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide

C12H18N2O2 — CID 42154087

IUPAC(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-2-7-13-12(16)9-3-6-11(15)14(8-9)10-4-5-10/h2,9-10H,1,3-8H2,(H,13,16)/t9-/m1/s1
InChIKeyNOBMAMJGIRVNLW-SECBINFHSA-N
MW222.29 g/mol
LogP0.69
Rot. Bonds4

About (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide

(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 42154087) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID42154087
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-2-7-13-12(16)9-3-6-11(15)14(8-9)10-4-5-10/h2,9-10H,1,3-8H2,(H,13,16)/t9-/m1/s1
InChIKeyNOBMAMJGIRVNLW-SECBINFHSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 45243115
(3R)-1-cyclopropyl-N-(2,2-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 97145622
1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195493
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
CID 67355505
(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
CID 42355782
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72876390
1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45227376

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide (CID 42154087) is (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CCC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is NOBMAMJGIRVNLW-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-13-12(16)9-3-6-11(15)14(8-9)10-4-5-10/h2,9-10H,1,3-8H2,(H,13,16)/t9-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 42154087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).