N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide

C16H21ClN4O2 — CID 121325886

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide
SMILES[H]/N=C/c1c(N)cc(Cl)cc1C(=O)NCC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H21ClN4O2/c1-10(22)21-4-2-11(3-5-21)9-20-16(23)13-6-12(17)7-15(19)14(13)8-18/h6-8,11,18H,2-5,9,19H2,1H3,(H,20,23)/b18-8+
InChIKeyQFPGUHKKDGOXSE-QGMBQPNBSA-N
MW336.82 g/mol
LogP1.91
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide

N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide (PubChem CID 121325886) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide
PubChem CID121325886
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide
SMILES[H]/N=C/c1c(N)cc(Cl)cc1C(=O)NCC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H21ClN4O2/c1-10(22)21-4-2-11(3-5-21)9-20-16(23)13-6-12(17)7-15(19)14(13)8-18/h6-8,11,18H,2-5,9,19H2,1H3,(H,20,23)/b18-8+
InChIKeyQFPGUHKKDGOXSE-QGMBQPNBSA-N
XLogP1.91
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide 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-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
CID 119945298
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
N-[(1-acetylpiperidin-4-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118775630
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
CID 171389634
2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide
CID 67596623
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide (CID 121325886) is N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide is [H]/N=C/c1c(N)cc(Cl)cc1C(=O)NCC1CCN(C(C)=O)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide?
The InChIKey is QFPGUHKKDGOXSE-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-10(22)21-4-2-11(3-5-21)9-20-16(23)13-6-12(17)7-15(19)14(13)8-18/h6-8,11,18H,2-5,9,19H2,1H3,(H,20,23)/b18-8+.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide has a molecular weight of 336.82 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide is sourced from PubChem (CID 121325886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).