N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide

C20H31N3O2 — CID 119482159

IUPACN-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
SMILESCCCCc1ccc(CC(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C20H31N3O2/c1-2-3-5-16-7-9-17(10-8-16)14-19(24)23-13-4-6-18(15-23)20(25)22-12-11-21/h7-10,18H,2-6,11-15,21H2,1H3,(H,22,25)
InChIKeyLGWYNJBFETWIRW-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.89
Rot. Bonds8

About N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 119482159) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
PubChem CID119482159
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
SMILESCCCCc1ccc(CC(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C20H31N3O2/c1-2-3-5-16-7-9-17(10-8-16)14-19(24)23-13-4-6-18(15-23)20(25)22-12-11-21/h7-10,18H,2-6,11-15,21H2,1H3,(H,22,25)
InChIKeyLGWYNJBFETWIRW-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 119481551
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967018
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide (CID 119482159) is N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide is CCCCc1ccc(CC(=O)N2CCCC(C(=O)NCCN)C2)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is LGWYNJBFETWIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-3-5-16-7-9-17(10-8-16)14-19(24)23-13-4-6-18(15-23)20(25)22-12-11-21/h7-10,18H,2-6,11-15,21H2,1H3,(H,22,25).
What are the key properties of N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 119482159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).