(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide

C24H25FN4O2 — CID 51927315

IUPAC(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c1-28-15-13-26-22(28)21(17-6-3-2-4-7-17)27-23(30)19-8-5-14-29(16-19)24(31)18-9-11-20(25)12-10-18/h2-4,6-7,9-13,15,19,21H,5,8,14,16H2,1H3,(H,27,30)/t19-,21-/m1/s1
InChIKeyXZWVYAIDXLHMQX-TZIWHRDSSA-N
MW420.49 g/mol
LogP3.32
Rot. Bonds5

About (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide

(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide (PubChem CID 51927315) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
PubChem CID51927315
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c1-28-15-13-26-22(28)21(17-6-3-2-4-7-17)27-23(30)19-8-5-14-29(16-19)24(31)18-9-11-20(25)12-10-18/h2-4,6-7,9-13,15,19,21H,5,8,14,16H2,1H3,(H,27,30)/t19-,21-/m1/s1
InChIKeyXZWVYAIDXLHMQX-TZIWHRDSSA-N
XLogP3.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134
(3R)-3-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31359319
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55457855
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 27035334
3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655411
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55718620
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide (CID 51927315) is (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide is Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide?
The InChIKey is XZWVYAIDXLHMQX-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-28-15-13-26-22(28)21(17-6-3-2-4-7-17)27-23(30)19-8-5-14-29(16-19)24(31)18-9-11-20(25)12-10-18/h2-4,6-7,9-13,15,19,21H,5,8,14,16H2,1H3,(H,27,30)/t19-,21-/m1/s1.
What are the key properties of (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide?
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide is sourced from PubChem (CID 51927315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).