(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C15H24N4O — CID 1452556

IUPAC(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@@H](C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O/c1-11-7-8-16-14(17-11)19-9-5-6-12(10-19)13(20)18-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyXNZCZZTXYPKSNR-GFCCVEGCSA-N
MW276.38 g/mol
LogP1.92
Rot. Bonds2

About (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 1452556) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID1452556
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@@H](C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O/c1-11-7-8-16-14(17-11)19-9-5-6-12(10-19)13(20)18-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyXNZCZZTXYPKSNR-GFCCVEGCSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 124765449
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 1452556) is (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCC[C@@H](C(=O)NC(C)(C)C)C2)n1.
What is the InChIKey of (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is XNZCZZTXYPKSNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-7-8-16-14(17-11)19-9-5-6-12(10-19)13(20)18-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 1452556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).