(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide

C19H26N2O2 — CID 95627888

IUPAC(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
SMILESC/C=C/CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H26N2O2/c1-3-4-5-12-20-18(22)17-7-6-13-21(14-17)19(23)16-10-8-15(2)9-11-16/h3-4,8-11,17H,5-7,12-14H2,1-2H3,(H,20,22)/b4-3+/t17-/m1/s1
InChIKeyMCGAFSHLPJTCPJ-REMYHPOOSA-N
MW314.43 g/mol
LogP2.93
Rot. Bonds5

About (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide

(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide (PubChem CID 95627888) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
PubChem CID95627888
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
SMILESC/C=C/CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H26N2O2/c1-3-4-5-12-20-18(22)17-7-6-13-21(14-17)19(23)16-10-8-15(2)9-11-16/h3-4,8-11,17H,5-7,12-14H2,1-2H3,(H,20,22)/b4-3+/t17-/m1/s1
InChIKeyMCGAFSHLPJTCPJ-REMYHPOOSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 120948550
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide (CID 95627888) is (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide is C/C=C/CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide?
The InChIKey is MCGAFSHLPJTCPJ-REMYHPOOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-5-12-20-18(22)17-7-6-13-21(14-17)19(23)16-10-8-15(2)9-11-16/h3-4,8-11,17H,5-7,12-14H2,1-2H3,(H,20,22)/b4-3+/t17-/m1/s1.
What are the key properties of (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide?
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 95627888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).