N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C21H28N4O2 — CID 71839640

IUPACN-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NC4CCCC4)CC3)[nH]n2)c1
InChIInChI=1S/C21H28N4O2/c1-27-18-8-4-5-16(13-18)20-14-19(23-24-20)15-9-11-25(12-10-15)21(26)22-17-6-2-3-7-17/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyUDMKFHWPXCGZIW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.92
Rot. Bonds4

About N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839640) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839640
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NC4CCCC4)CC3)[nH]n2)c1
InChIInChI=1S/C21H28N4O2/c1-27-18-8-4-5-16(13-18)20-14-19(23-24-20)15-9-11-25(12-10-15)21(26)22-17-6-2-3-7-17/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyUDMKFHWPXCGZIW-UHFFFAOYSA-N
XLogP3.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839640) is N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)NC4CCCC4)CC3)[nH]n2)c1.
What is the InChIKey of N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is UDMKFHWPXCGZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-18-8-4-5-16(13-18)20-14-19(23-24-20)15-9-11-25(12-10-15)21(26)22-17-6-2-3-7-17/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).