(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C14H22N4O — CID 7435435

IUPAC(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-13(19)12-6-4-9-18(10-12)14-15-7-5-8-16-14/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyBXVNUSCEBWCBSG-NWDGAFQWSA-N
MW262.36 g/mol
LogP1.61
Rot. Bonds4

About (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 7435435) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID7435435
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-13(19)12-6-4-9-18(10-12)14-15-7-5-8-16-14/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyBXVNUSCEBWCBSG-NWDGAFQWSA-N
XLogP1.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
N-[1-[4-(propanoylamino)phenyl]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55655942
N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 42953350
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436060
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 7435435) is (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is BXVNUSCEBWCBSG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-11(2)17-13(19)12-6-4-9-18(10-12)14-15-7-5-8-16-14/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 7435435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).