1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H26N2O3 — CID 131894163

IUPAC1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)C3CC=CC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-18-8-6-15(7-9-18)14-21-19(23)16-10-12-22(13-11-16)20(24)17-4-2-3-5-17/h2-3,6-9,16-17H,4-5,10-14H2,1H3,(H,21,23)
InChIKeyUNNAOLVAPLDDMX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.52
Rot. Bonds5

About 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 131894163) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID131894163
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)C3CC=CC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-18-8-6-15(7-9-18)14-21-19(23)16-10-12-22(13-11-16)20(24)17-4-2-3-5-17/h2-3,6-9,16-17H,4-5,10-14H2,1H3,(H,21,23)
InChIKeyUNNAOLVAPLDDMX-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
1-(2-cyclopentylcyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 154842260
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 7316736
1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309434
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119945115
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 131894163) is 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(C(=O)C3CC=CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UNNAOLVAPLDDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-18-8-6-15(7-9-18)14-21-19(23)16-10-12-22(13-11-16)20(24)17-4-2-3-5-17/h2-3,6-9,16-17H,4-5,10-14H2,1H3,(H,21,23).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131894163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).