[1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C21H26ClN3O — CID 52906664

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(Cn2cccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H26ClN3O/c22-19-6-4-18(5-7-19)21(10-1-2-11-21)20(26)24-14-8-17(9-15-24)16-25-13-3-12-23-25/h3-7,12-13,17H,1-2,8-11,14-16H2
InChIKeyYRTBXILZZTUXLS-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.29
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 52906664) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID52906664
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(Cn2cccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H26ClN3O/c22-19-6-4-18(5-7-19)21(10-1-2-11-21)20(26)24-14-8-17(9-15-24)16-25-13-3-12-23-25/h3-7,12-13,17H,1-2,8-11,14-16H2
InChIKeyYRTBXILZZTUXLS-UHFFFAOYSA-N
XLogP4.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 52906664) is [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(N1CCC(Cn2cccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YRTBXILZZTUXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-19-6-4-18(5-7-19)21(10-1-2-11-21)20(26)24-14-8-17(9-15-24)16-25-13-3-12-23-25/h3-7,12-13,17H,1-2,8-11,14-16H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 371.91 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 52906664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).