(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

C20H26N4O — CID 95085826

IUPAC(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1
InChIInChI=1S/C20H26N4O/c1-15(2)11-21-19(25)17-9-6-10-24(14-17)20-22-12-18(13-23-20)16-7-4-3-5-8-16/h3-5,7-8,12-13,15,17H,6,9-11,14H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyLYYFPAXHSVFRKI-QGZVFWFLSA-N
MW338.46 g/mol
LogP3.13
Rot. Bonds5

About (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 95085826) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID95085826
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1
InChIInChI=1S/C20H26N4O/c1-15(2)11-21-19(25)17-9-6-10-24(14-17)20-22-12-18(13-23-20)16-7-4-3-5-8-16/h3-5,7-8,12-13,15,17H,6,9-11,14H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyLYYFPAXHSVFRKI-QGZVFWFLSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829
(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 95085920
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
(3S)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95085693
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107179
N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107209
(3S)-N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085955
(3R)-N-(2-ethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085848
(3R)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085904
(3S)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085905

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (CID 95085826) is (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1.
What is the InChIKey of (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is LYYFPAXHSVFRKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)11-21-19(25)17-9-6-10-24(14-17)20-22-12-18(13-23-20)16-7-4-3-5-8-16/h3-5,7-8,12-13,15,17H,6,9-11,14H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).