N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride

C14H18Cl2N4O4 — CID 119380089

IUPACN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H17ClN4O4.ClH/c15-10-4-1-5-11(19(22)23)13(10)14(21)17-7-12(20)18-6-2-3-9(16)8-18;/h1,4-5,9H,2-3,6-8,16H2,(H,17,21);1H
InChIKeyLEVKSKNDINQRRY-UHFFFAOYSA-N
MW377.23 g/mol
LogP1.35
Rot. Bonds4

About N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride (PubChem CID 119380089) has the molecular formula C14H18Cl2N4O4 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride
PubChem CID119380089
Molecular FormulaC14H18Cl2N4O4
Molecular Weight377.23 g/mol
Exact Mass376.07
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H17ClN4O4.ClH/c15-10-4-1-5-11(19(22)23)13(10)14(21)17-7-12(20)18-6-2-3-9(16)8-18;/h1,4-5,9H,2-3,6-8,16H2,(H,17,21);1H
InChIKeyLEVKSKNDINQRRY-UHFFFAOYSA-N
XLogP1.35
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
(2-chloro-6-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63658972
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
(2-chloro-6-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 63659661
N-[(4-bromocyclohexyl)methyl]-2-chloro-6-nitrobenzamide
CID 106134498
(3S)-1-(2-chloro-6-nitrobenzoyl)piperidine-3-carboxylic acid
CID 81120476
4-[2-[(2-chloro-6-nitrobenzoyl)amino]acetyl]morpholine-3-carboxylic acid
CID 119216453
2-chloro-6-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 63659497
2-chloro-N-(2-methylprop-2-enyl)-6-nitrobenzamide
CID 114618707
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-2-chloro-6-nitrobenzamide
CID 119523735

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride (CID 119380089) is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride is Cl.NC1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride?
The InChIKey is LEVKSKNDINQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4.ClH/c15-10-4-1-5-11(19(22)23)13(10)14(21)17-7-12(20)18-6-2-3-9(16)8-18;/h1,4-5,9H,2-3,6-8,16H2,(H,17,21);1H.
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride?
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride has a molecular weight of 377.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119380089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).