(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C17H28N4O — CID 95056427

IUPAC(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCCCN(CC)C(=O)[C@H]1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C17H28N4O/c1-4-6-11-20(5-2)16(22)15-8-7-12-21(13-15)17-18-10-9-14(3)19-17/h9-10,15H,4-8,11-13H2,1-3H3/t15-/m0/s1
InChIKeyURNAFWZVTIKNLC-HNNXBMFYSA-N
MW304.44 g/mol
LogP2.65
Rot. Bonds6

About (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 95056427) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID95056427
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCCCN(CC)C(=O)[C@H]1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C17H28N4O/c1-4-6-11-20(5-2)16(22)15-8-7-12-21(13-15)17-18-10-9-14(3)19-17/h9-10,15H,4-8,11-13H2,1-3H3/t15-/m0/s1
InChIKeyURNAFWZVTIKNLC-HNNXBMFYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-1-[2-[3-(dibutylcarbamoyl)piperidin-1-yl]-3,6-dimethylphenyl]piperidine-3-carboxamide;dihydrobromide
CID 67872951
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
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
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95082401
(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-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
CID 95069875
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63853871

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 95056427) is (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is CCCCN(CC)C(=O)[C@H]1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is URNAFWZVTIKNLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-6-11-20(5-2)16(22)15-8-7-12-21(13-15)17-18-10-9-14(3)19-17/h9-10,15H,4-8,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95056427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).