(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone

C20H30N4O — CID 167751037

IUPAC(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCN(C2CCCCC2)C1)N1CCC(c2ncccn2)CC1
InChIInChI=1S/C20H30N4O/c25-20(17-9-14-24(15-17)18-5-2-1-3-6-18)23-12-7-16(8-13-23)19-21-10-4-11-22-19/h4,10-11,16-18H,1-3,5-9,12-15H2
InChIKeyPQISMUKIAVIUJO-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.84
Rot. Bonds3

About (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone

(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone (PubChem CID 167751037) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
PubChem CID167751037
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCN(C2CCCCC2)C1)N1CCC(c2ncccn2)CC1
InChIInChI=1S/C20H30N4O/c25-20(17-9-14-24(15-17)18-5-2-1-3-6-18)23-12-7-16(8-13-23)19-21-10-4-11-22-19/h4,10-11,16-18H,1-3,5-9,12-15H2
InChIKeyPQISMUKIAVIUJO-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
CID 167929183
[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 134209461
ethyl 4-(4-pyrimidin-2-ylpiperidin-1-yl)azepane-1-carboxylate
CID 78318381
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
1-[5-chloro-2-[1-(1-cyclopentylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylic acid
CID 155199195
(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 72940576
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
1-[2-[1-(1-cyclopentylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 155199171
(3,5-dimethylphenyl)-(3-pyrimidin-2-ylpyrrolidin-1-yl)methanone
CID 136561628
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone (CID 167751037) is (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone is O=C(C1CCN(C2CCCCC2)C1)N1CCC(c2ncccn2)CC1.
What is the InChIKey of (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is PQISMUKIAVIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(17-9-14-24(15-17)18-5-2-1-3-6-18)23-12-7-16(8-13-23)19-21-10-4-11-22-19/h4,10-11,16-18H,1-3,5-9,12-15H2.
What are the key properties of (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
(1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 342.49 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 167751037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).