N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride

C16H24ClN3O2 — CID 119406812

IUPACN-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
SMILESCl.NCCCNC(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C16H23N3O2.ClH/c17-10-6-11-18-16(21)15(13-7-2-1-3-8-13)19-12-5-4-9-14(19)20;/h1-3,7-8,15H,4-6,9-12,17H2,(H,18,21);1H
InChIKeyDPIYIKRSXWQAJM-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.63
Rot. Bonds6

About N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride

N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride (PubChem CID 119406812) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
PubChem CID119406812
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
SMILESCl.NCCCNC(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C16H23N3O2.ClH/c17-10-6-11-18-16(21)15(13-7-2-1-3-8-13)19-12-5-4-9-14(19)20;/h1-3,7-8,15H,4-6,9-12,17H2,(H,18,21);1H
InChIKeyDPIYIKRSXWQAJM-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-(1-aminohexan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119666700
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574911
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505681
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 136531355

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride (CID 119406812) is N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride is Cl.NCCCNC(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride?
The InChIKey is DPIYIKRSXWQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-10-6-11-18-16(21)15(13-7-2-1-3-8-13)19-12-5-4-9-14(19)20;/h1-3,7-8,15H,4-6,9-12,17H2,(H,18,21);1H.
What are the key properties of N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride?
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119406812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).