N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C20H28N4OS — CID 56701108

IUPACN-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1
InChIInChI=1S/C20H28N4OS/c1-15-6-7-18(26-15)14-23-12-9-17(10-13-23)24-19(8-11-21-24)22-20(25)16-4-2-3-5-16/h6-8,11,16-17H,2-5,9-10,12-14H2,1H3,(H,22,25)
InChIKeyZOQHGYHJXNDMQM-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.22
Rot. Bonds5

About N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 56701108) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID56701108
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1
InChIInChI=1S/C20H28N4OS/c1-15-6-7-18(26-15)14-23-12-9-17(10-13-23)24-19(8-11-21-24)22-20(25)16-4-2-3-5-16/h6-8,11,16-17H,2-5,9-10,12-14H2,1H3,(H,22,25)
InChIKeyZOQHGYHJXNDMQM-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 56701108) is N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1.
What is the InChIKey of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is ZOQHGYHJXNDMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-15-6-7-18(26-15)14-23-12-9-17(10-13-23)24-19(8-11-21-24)22-20(25)16-4-2-3-5-16/h6-8,11,16-17H,2-5,9-10,12-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 56701108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).