(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone

C21H33N5O — CID 72940576

IUPAC(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ncnc(N2CCN(C(=O)C3CCCN(C4CCCC4)C3)CC2)c1C
InChIInChI=1S/C21H33N5O/c1-16-17(2)22-15-23-20(16)24-10-12-25(13-11-24)21(27)18-6-5-9-26(14-18)19-7-3-4-8-19/h15,18-19H,3-14H2,1-2H3
InChIKeyIWEBTSFHAFCVSM-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.40
Rot. Bonds3

About (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone

(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 72940576) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID72940576
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ncnc(N2CCN(C(=O)C3CCCN(C4CCCC4)C3)CC2)c1C
InChIInChI=1S/C21H33N5O/c1-16-17(2)22-15-23-20(16)24-10-12-25(13-11-24)21(27)18-6-5-9-26(14-18)19-7-3-4-8-19/h15,18-19H,3-14H2,1-2H3
InChIKeyIWEBTSFHAFCVSM-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434655
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276
pyrrolidin-1-yl-[(3S)-1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95556169
pyrrolidin-1-yl-[(3R)-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 95558166
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 814901
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 72940576) is (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ncnc(N2CCN(C(=O)C3CCCN(C4CCCC4)C3)CC2)c1C.
What is the InChIKey of (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is IWEBTSFHAFCVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-16-17(2)22-15-23-20(16)24-10-12-25(13-11-24)21(27)18-6-5-9-26(14-18)19-7-3-4-8-19/h15,18-19H,3-14H2,1-2H3.
What are the key properties of (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 72940576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).