N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

C21H31N3O2 — CID 16886913

IUPACN'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C21H31N3O2/c25-20(21(26)23-19-8-4-5-9-19)22-16-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,25)(H,23,26)
InChIKeyCVYQFSFRYAKBKZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.12
Rot. Bonds6

About N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886913) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886913
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C21H31N3O2/c25-20(21(26)23-19-8-4-5-9-19)22-16-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,25)(H,23,26)
InChIKeyCVYQFSFRYAKBKZ-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide 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

N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16886954
N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
CID 126434100

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (CID 16886913) is N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(CCc2ccccc2)CC1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is CVYQFSFRYAKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(21(26)23-19-8-4-5-9-19)22-16-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,25)(H,23,26).
What are the key properties of N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 357.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).