N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide

C27H40N4O — CID 42212425

IUPACN-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)n1
InChIInChI=1S/C27H40N4O/c1-21-8-4-5-9-25(21)14-17-29-15-12-24(13-16-29)19-30(26-10-6-7-11-26)27(32)20-31-23(3)18-22(2)28-31/h4-5,8-9,18,24,26H,6-7,10-17,19-20H2,1-3H3
InChIKeyHYGUPLTUHLNBOW-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.53
Rot. Bonds8

About N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide

N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide (PubChem CID 42212425) has the molecular formula C27H40N4O and a molecular weight of 436.64 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
PubChem CID42212425
Molecular FormulaC27H40N4O
Molecular Weight436.64 g/mol
Exact Mass436.32
IUPAC NameN-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)n1
InChIInChI=1S/C27H40N4O/c1-21-8-4-5-9-25(21)14-17-29-15-12-24(13-16-29)19-30(26-10-6-7-11-26)27(32)20-31-23(3)18-22(2)28-31/h4-5,8-9,18,24,26H,6-7,10-17,19-20H2,1-3H3
InChIKeyHYGUPLTUHLNBOW-UHFFFAOYSA-N
XLogP4.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337
N-cyclopentyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 42394443
1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
CID 25386243
N-cyclopentyl-4,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45221890
(2R)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97279230
N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
CID 45206163
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
CID 55028122

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide (CID 42212425) is N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide is Cc1cc(C)n(CC(=O)N(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is HYGUPLTUHLNBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O/c1-21-8-4-5-9-25(21)14-17-29-15-12-24(13-16-29)19-30(26-10-6-7-11-26)27(32)20-31-23(3)18-22(2)28-31/h4-5,8-9,18,24,26H,6-7,10-17,19-20H2,1-3H3.
What are the key properties of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide?
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 436.64 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 42212425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).