4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C19H28N4O3 — CID 134047047

IUPAC4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)22-10-8-16(9-11-22)21(3)19(24)14-4-7-17(20-15-5-6-15)18(12-14)23(25)26/h4,7,12-13,15-16,20H,5-6,8-11H2,1-3H3
InChIKeyCLRXFHHBQNCDOY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.11
Rot. Bonds6

About 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 134047047) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID134047047
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)22-10-8-16(9-11-22)21(3)19(24)14-4-7-17(20-15-5-6-15)18(12-14)23(25)26/h4,7,12-13,15-16,20H,5-6,8-11H2,1-3H3
InChIKeyCLRXFHHBQNCDOY-UHFFFAOYSA-N
XLogP3.11
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
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,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047066
N-cyclobutyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 115649333
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 17396951
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9227101
N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
CID 82993215
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9225803
N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
CID 34000828
tert-butyl N-[3-[4-[cyclohexyl(methyl)carbamoyl]-2-nitroanilino]cyclobutyl]carbamate
CID 126737502

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 134047047) is 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is CLRXFHHBQNCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)22-10-8-16(9-11-22)21(3)19(24)14-4-7-17(20-15-5-6-15)18(12-14)23(25)26/h4,7,12-13,15-16,20H,5-6,8-11H2,1-3H3.
What are the key properties of 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134047047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).