N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide

C19H29N3O3 — CID 119481601

IUPACN-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(C)CC(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C19H29N3O3/c1-14(15-5-3-7-17(12-15)25-2)11-18(23)22-10-4-6-16(13-22)19(24)21-9-8-20/h3,5,7,12,14,16H,4,6,8-11,13,20H2,1-2H3,(H,21,24)
InChIKeyHALKUFZGKOIMBM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.50
Rot. Bonds7

About N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide (PubChem CID 119481601) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
PubChem CID119481601
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(C)CC(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C19H29N3O3/c1-14(15-5-3-7-17(12-15)25-2)11-18(23)22-10-4-6-16(13-22)19(24)21-9-8-20/h3,5,7,12,14,16H,4,6,8-11,13,20H2,1-2H3,(H,21,24)
InChIKeyHALKUFZGKOIMBM-UHFFFAOYSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide 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-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide
CID 119480418
N-(2-aminoethyl)-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxamide
CID 119480003
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479592
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide (CID 119481601) is N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide is COc1cccc(C(C)CC(=O)N2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide?
The InChIKey is HALKUFZGKOIMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(15-5-3-7-17(12-15)25-2)11-18(23)22-10-4-6-16(13-22)19(24)21-9-8-20/h3,5,7,12,14,16H,4,6,8-11,13,20H2,1-2H3,(H,21,24).
What are the key properties of N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119481601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).