(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide

C16H22N2O — CID 93490114

IUPAC(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-2-10-17-16(19)15-9-6-11-18(13-15)12-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2,(H,17,19)/t15-/m1/s1
InChIKeySXGHAMJGNWJYEQ-OAHLLOKOSA-N
MW258.37 g/mol
LogP2.20
Rot. Bonds5

About (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide

(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 93490114) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID93490114
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-2-10-17-16(19)15-9-6-11-18(13-15)12-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2,(H,17,19)/t15-/m1/s1
InChIKeySXGHAMJGNWJYEQ-OAHLLOKOSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.20
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

1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923600
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide (CID 93490114) is (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is SXGHAMJGNWJYEQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-10-17-16(19)15-9-6-11-18(13-15)12-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2,(H,17,19)/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide?
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 93490114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).