(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C24H26N4O — CID 95055787

IUPAC(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C24H26N4O/c1-18-8-5-6-11-20(18)16-26-24(29)21-12-7-15-28(17-21)22-13-14-25-23(27-22)19-9-3-2-4-10-19/h2-6,8-11,13-14,21H,7,12,15-17H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyRNLHMTLVPINABE-NRFANRHFSA-N
MW386.50 g/mol
LogP3.98
Rot. Bonds5

About (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95055787) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID95055787
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C24H26N4O/c1-18-8-5-6-11-20(18)16-26-24(29)21-12-7-15-28(17-21)22-13-14-25-23(27-22)19-9-3-2-4-10-19/h2-6,8-11,13-14,21H,7,12,15-17H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyRNLHMTLVPINABE-NRFANRHFSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
(3R)-N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069851
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
N-[(2,5-dimethoxyphenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071367
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055768
N-[3-(N-methylanilino)propyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071435
(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95055741
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 95055787) is (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is RNLHMTLVPINABE-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-8-5-6-11-20(18)16-26-24(29)21-12-7-15-28(17-21)22-13-14-25-23(27-22)19-9-3-2-4-10-19/h2-6,8-11,13-14,21H,7,12,15-17H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95055787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).