methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate

C19H26N2O3 — CID 75473056

IUPACmethyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-24-19(23)17-9-5-8-16(17)18(22)21-12-10-15(11-13-21)20-14-6-3-2-4-7-14/h2-4,6-7,15-17,20H,5,8-13H2,1H3
InChIKeySHBBXLMHUVEULW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate

methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate (PubChem CID 75473056) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate
PubChem CID75473056
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-24-19(23)17-9-5-8-16(17)18(22)21-12-10-15(11-13-21)20-14-6-3-2-4-7-14/h2-4,6-7,15-17,20H,5,8-13H2,1H3
InChIKeySHBBXLMHUVEULW-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate 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

[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014469
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77309770
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
methyl 1-benzoyl-3-oxopiperidine-4-carboxylate
CID 112535816
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
methyl 2-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperazine-1-carbonyl]cyclopentane-1-carboxylate
CID 66738337

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate (CID 75473056) is methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1C(=O)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate?
The InChIKey is SHBBXLMHUVEULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-19(23)17-9-5-8-16(17)18(22)21-12-10-15(11-13-21)20-14-6-3-2-4-7-14/h2-4,6-7,15-17,20H,5,8-13H2,1H3.
What are the key properties of methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate?
methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 75473056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).