2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride

C18H26ClN3O2 — CID 119749231

IUPAC2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(13-19-11-14-4-5-14)20-12-15-6-8-16(9-7-15)21-10-2-1-3-18(21)23;/h6-9,14,19H,1-5,10-13H2,(H,20,22);1H
InChIKeyZENVLKZHYXPWNJ-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.24
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119749231) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119749231
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(13-19-11-14-4-5-14)20-12-15-6-8-16(9-7-15)21-10-2-1-3-18(21)23;/h6-9,14,19H,1-5,10-13H2,(H,20,22);1H
InChIKeyZENVLKZHYXPWNJ-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;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

2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589722
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010
2-(1-hydroxycyclopentyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide
CID 111537212
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride (CID 119749231) is 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is ZENVLKZHYXPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(13-19-11-14-4-5-14)20-12-15-6-8-16(9-7-15)21-10-2-1-3-18(21)23;/h6-9,14,19H,1-5,10-13H2,(H,20,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119749231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).