(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide

C23H32N4O — CID 95069875

IUPAC(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C23H32N4O/c1-4-14-26(15-5-2)23(28)20-7-6-16-27(17-20)21-12-13-24-22(25-21)19-10-8-18(3)9-11-19/h8-13,20H,4-7,14-17H2,1-3H3/t20-/m1/s1
InChIKeyPRBQEOGXBVPRNL-HXUWFJFHSA-N
MW380.54 g/mol
LogP4.32
Rot. Bonds7

About (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide

(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 95069875) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
PubChem CID95069875
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C23H32N4O/c1-4-14-26(15-5-2)23(28)20-7-6-16-27(17-20)21-12-13-24-22(25-21)19-10-8-18(3)9-11-19/h8-13,20H,4-7,14-17H2,1-3H3/t20-/m1/s1
InChIKeyPRBQEOGXBVPRNL-HXUWFJFHSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055782
(3S)-N-(2,4-dimethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069895
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
N-(3-methoxypropyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 20933349
(3S)-N-butyl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065789
N-butan-2-yl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006551
1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 53214047
(3R)-N-(4-butylphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069805
N-[(2,5-dimethoxyphenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071367
[(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93058074
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide (CID 95069875) is (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(C)cc3)n2)C1.
What is the InChIKey of (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is PRBQEOGXBVPRNL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-14-26(15-5-2)23(28)20-7-6-16-27(17-20)21-12-13-24-22(25-21)19-10-8-18(3)9-11-19/h8-13,20H,4-7,14-17H2,1-3H3/t20-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide?
(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 95069875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).