1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

C27H34FN3O2 — CID 46476068

IUPAC1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H34FN3O2/c1-20-4-2-3-15-31(20)19-22-7-5-21(6-8-22)18-29-26(32)23-13-16-30(17-14-23)27(33)24-9-11-25(28)12-10-24/h5-12,20,23H,2-4,13-19H2,1H3,(H,29,32)
InChIKeyQQZQRGGYWGZGCN-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 46476068) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID46476068
Molecular FormulaC27H34FN3O2
Molecular Weight451.59 g/mol
Exact Mass451.26
IUPAC Name1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H34FN3O2/c1-20-4-2-3-15-31(20)19-22-7-5-21(6-8-22)18-29-26(32)23-13-16-30(17-14-23)27(33)24-9-11-25(28)12-10-24/h5-12,20,23H,2-4,13-19H2,1H3,(H,29,32)
InChIKeyQQZQRGGYWGZGCN-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 136534473
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 46476068) is 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is CC1CCCCN1Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is QQZQRGGYWGZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c1-20-4-2-3-15-31(20)19-22-7-5-21(6-8-22)18-29-26(32)23-13-16-30(17-14-23)27(33)24-9-11-25(28)12-10-24/h5-12,20,23H,2-4,13-19H2,1H3,(H,29,32).
What are the key properties of 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46476068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).