1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C21H23FN2O3 — CID 18104565

IUPAC1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN2O3/c1-27-19-4-2-3-15(13-19)14-23-20(25)16-9-11-24(12-10-16)21(26)17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,23,25)
InChIKeyUOAHPAYXQFTNMB-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 18104565) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID18104565
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN2O3/c1-27-19-4-2-3-15(13-19)14-23-20(25)16-9-11-24(12-10-16)21(26)17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,23,25)
InChIKeyUOAHPAYXQFTNMB-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533214
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 18104565) is 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UOAHPAYXQFTNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-27-19-4-2-3-15(13-19)14-23-20(25)16-9-11-24(12-10-16)21(26)17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,23,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 18104565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).