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

C22H30N4O2 — CID 24816991

IUPACN-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-28-20-8-6-17(7-9-20)16-25-14-11-19(12-15-25)26-21(10-13-23-26)24-22(27)18-4-2-3-5-18/h6-10,13,18-19H,2-5,11-12,14-16H2,1H3,(H,24,27)
InChIKeyUPXYHAGRISSYGQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.86
Rot. Bonds6

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

N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24816991) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24816991
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-28-20-8-6-17(7-9-20)16-25-14-11-19(12-15-25)26-21(10-13-23-26)24-22(27)18-4-2-3-5-18/h6-10,13,18-19H,2-5,11-12,14-16H2,1H3,(H,24,27)
InChIKeyUPXYHAGRISSYGQ-UHFFFAOYSA-N
XLogP3.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24816991) is N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is COc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is UPXYHAGRISSYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-20-8-6-17(7-9-20)16-25-14-11-19(12-15-25)26-21(10-13-23-26)24-22(27)18-4-2-3-5-18/h6-10,13,18-19H,2-5,11-12,14-16H2,1H3,(H,24,27).
What are the key properties of N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24816991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).