N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride

C18H27Cl2N3O3 — CID 119481611

IUPACN-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCCC(Oc1ccccc1Cl)C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C18H26ClN3O3.ClH/c1-2-15(25-16-8-4-3-7-14(16)19)18(24)22-11-5-6-13(12-22)17(23)21-10-9-20;/h3-4,7-8,13,15H,2,5-6,9-12,20H2,1H3,(H,21,23);1H
InChIKeyIRNMVYPBZVAAAW-UHFFFAOYSA-N
MW404.34 g/mol
LogP2.23
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119481611) has the molecular formula C18H27Cl2N3O3 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119481611
Molecular FormulaC18H27Cl2N3O3
Molecular Weight404.34 g/mol
Exact Mass403.14
IUPAC NameN-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCCC(Oc1ccccc1Cl)C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C18H26ClN3O3.ClH/c1-2-15(25-16-8-4-3-7-14(16)19)18(24)22-11-5-6-13(12-22)17(23)21-10-9-20;/h3-4,7-8,13,15H,2,5-6,9-12,20H2,1H3,(H,21,23);1H
InChIKeyIRNMVYPBZVAAAW-UHFFFAOYSA-N
XLogP2.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride 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-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562993
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
N-(2-aminoethyl)-1-[3-(2-fluorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480114
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride (CID 119481611) is N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride is CCC(Oc1ccccc1Cl)C(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IRNMVYPBZVAAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3.ClH/c1-2-15(25-16-8-4-3-7-14(16)19)18(24)22-11-5-6-13(12-22)17(23)21-10-9-20;/h3-4,7-8,13,15H,2,5-6,9-12,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 404.34 g/mol, XLogP of 2.23, 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-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).