N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide

C20H29N3O4 — CID 119482116

IUPACN-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C20H29N3O4/c1-2-27-17-7-5-15(6-8-17)18(24)9-10-19(25)23-13-3-4-16(14-23)20(26)22-12-11-21/h5-8,16H,2-4,9-14,21H2,1H3,(H,22,26)
InChIKeyKUEDWZLRMPQCIW-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.36
Rot. Bonds9

About N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide (PubChem CID 119482116) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
PubChem CID119482116
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C20H29N3O4/c1-2-27-17-7-5-15(6-8-17)18(24)9-10-19(25)23-13-3-4-16(14-23)20(26)22-12-11-21/h5-8,16H,2-4,9-14,21H2,1H3,(H,22,26)
InChIKeyKUEDWZLRMPQCIW-UHFFFAOYSA-N
XLogP1.36
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]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-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
1-(3-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 119381396
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481359
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 4800489
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide (CID 119482116) is N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide is CCOc1ccc(C(=O)CCC(=O)N2CCCC(C(=O)NCCN)C2)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide?
The InChIKey is KUEDWZLRMPQCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-2-27-17-7-5-15(6-8-17)18(24)9-10-19(25)23-13-3-4-16(14-23)20(26)22-12-11-21/h5-8,16H,2-4,9-14,21H2,1H3,(H,22,26).
What are the key properties of N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119482116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).