(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide

C19H30N4O — CID 94816783

IUPAC(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
SMILESC[C@@H](CC(=O)NC1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C19H30N4O/c1-15(16-6-3-2-4-7-16)14-18(24)22-17-8-12-23(13-9-17)19-20-10-5-11-21-19/h5,10-11,15-17H,2-4,6-9,12-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyUGGYTJAZLPHBSW-HNNXBMFYSA-N
MW330.48 g/mol
LogP3.17
Rot. Bonds5

About (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide

(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide (PubChem CID 94816783) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
PubChem CID94816783
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
SMILESC[C@@H](CC(=O)NC1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C19H30N4O/c1-15(16-6-3-2-4-7-16)14-18(24)22-17-8-12-23(13-9-17)19-20-10-5-11-21-19/h5,10-11,15-17H,2-4,6-9,12-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyUGGYTJAZLPHBSW-HNNXBMFYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779445
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
CID 60846790
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
2-amino-N-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]acetamide
CID 60846789
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide (CID 94816783) is (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide is C[C@@H](CC(=O)NC1CCN(c2ncccn2)CC1)C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
The InChIKey is UGGYTJAZLPHBSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15(16-6-3-2-4-7-16)14-18(24)22-17-8-12-23(13-9-17)19-20-10-5-11-21-19/h5,10-11,15-17H,2-4,6-9,12-14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide has a molecular weight of 330.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 94816783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).