(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C24H26ClN5O2 — CID 27035334

IUPAC(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN5O2/c1-29-15-13-26-22(29)21(17-9-11-19(25)12-10-17)28-23(31)18-6-5-14-30(16-18)24(32)27-20-7-3-2-4-8-20/h2-4,7-13,15,18,21H,5-6,14,16H2,1H3,(H,27,32)(H,28,31)/t18-,21+/m1/s1
InChIKeyBVNFWYIELGBZIQ-NQIIRXRSSA-N
MW451.96 g/mol
LogP4.22
Rot. Bonds5

About (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 27035334) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID27035334
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN5O2/c1-29-15-13-26-22(29)21(17-9-11-19(25)12-10-17)28-23(31)18-6-5-14-30(16-18)24(32)27-20-7-3-2-4-8-20/h2-4,7-13,15,18,21H,5-6,14,16H2,1H3,(H,27,32)(H,28,31)/t18-,21+/m1/s1
InChIKeyBVNFWYIELGBZIQ-NQIIRXRSSA-N
XLogP4.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-3-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31359319
3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655411
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
(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
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
CID 51927315
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55457855
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 98681879
(3S)-3-N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51646299

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 27035334) is (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is BVNFWYIELGBZIQ-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-29-15-13-26-22(29)21(17-9-11-19(25)12-10-17)28-23(31)18-6-5-14-30(16-18)24(32)27-20-7-3-2-4-8-20/h2-4,7-13,15,18,21H,5-6,14,16H2,1H3,(H,27,32)(H,28,31)/t18-,21+/m1/s1.
What are the key properties of (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 451.96 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 27035334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).