(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C21H28N4O — CID 95055782

IUPAC(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCCCN(C)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H28N4O/c1-3-4-14-24(2)21(26)18-11-8-15-25(16-18)19-12-13-22-20(23-19)17-9-6-5-7-10-17/h5-7,9-10,12-13,18H,3-4,8,11,14-16H2,1-2H3/t18-/m1/s1
InChIKeyUQRHDJQNGDOCKR-GOSISDBHSA-N
MW352.48 g/mol
LogP3.62
Rot. Bonds6

About (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95055782) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID95055782
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCCCN(C)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H28N4O/c1-3-4-14-24(2)21(26)18-11-8-15-25(16-18)19-12-13-22-20(23-19)17-9-6-5-7-10-17/h5-7,9-10,12-13,18H,3-4,8,11,14-16H2,1-2H3/t18-/m1/s1
InChIKeyUQRHDJQNGDOCKR-GOSISDBHSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
CID 95069875
N-[3-(N-methylanilino)propyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071435
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055757
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3S)-N-butyl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065789
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
(3S)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95069950
(3R)-N-(4-butylphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069805
(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92706767

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 95055782) is (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is CCCCN(C)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UQRHDJQNGDOCKR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-4-14-24(2)21(26)18-11-8-15-25(16-18)19-12-13-22-20(23-19)17-9-6-5-7-10-17/h5-7,9-10,12-13,18H,3-4,8,11,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95055782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).