1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide

C27H35FN2O4 — CID 55756635

IUPAC1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C27H35FN2O4/c1-4-5-6-13-30(19-20-7-9-23(28)10-8-20)26(31)21-11-14-29(15-12-21)27(32)22-16-24(33-2)18-25(17-22)34-3/h7-10,16-18,21H,4-6,11-15,19H2,1-3H3
InChIKeyRCYSSFUHCDQUCZ-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.91
Rot. Bonds10

About 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55756635) has the molecular formula C27H35FN2O4 and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55756635
Molecular FormulaC27H35FN2O4
Molecular Weight470.59 g/mol
Exact Mass470.26
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C27H35FN2O4/c1-4-5-6-13-30(19-20-7-9-23(28)10-8-20)26(31)21-11-14-29(15-12-21)27(32)22-16-24(33-2)18-25(17-22)34-3/h7-10,16-18,21H,4-6,11-15,19H2,1-3H3
InChIKeyRCYSSFUHCDQUCZ-UHFFFAOYSA-N
XLogP4.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate
CID 55758858
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
N-[(4-fluorophenyl)methyl]-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 42676212
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide (CID 55756635) is 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide is CCCCCN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is RCYSSFUHCDQUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O4/c1-4-5-6-13-30(19-20-7-9-23(28)10-8-20)26(31)21-11-14-29(15-12-21)27(32)22-16-24(33-2)18-25(17-22)34-3/h7-10,16-18,21H,4-6,11-15,19H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55756635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).