N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide

C19H26N4O4 — CID 34000828

IUPACN-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
SMILESCC(C)C(=O)N1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26N4O4/c1-12(2)19(25)22-9-7-15(8-10-22)20-16-6-3-13(11-17(16)23(26)27)18(24)21-14-4-5-14/h3,6,11-12,14-15,20H,4-5,7-10H2,1-2H3,(H,21,24)
InChIKeyIHWWZHBDXJGTSM-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.55
Rot. Bonds6

About N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide

N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide (PubChem CID 34000828) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
PubChem CID34000828
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
SMILESCC(C)C(=O)N1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26N4O4/c1-12(2)19(25)22-9-7-15(8-10-22)20-16-6-3-13(11-17(16)23(26)27)18(24)21-14-4-5-14/h3,6,11-12,14-15,20H,4-5,7-10H2,1-2H3,(H,21,24)
InChIKeyIHWWZHBDXJGTSM-UHFFFAOYSA-N
XLogP2.55
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.55
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

4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
CID 26131147
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
CID 32507530
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-nitrobenzoic acid
CID 51045395
4-(cyclopropylamino)-N-(3-hydroxybutyl)-3-nitrobenzamide
CID 111433560
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
(2R)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-methylbutanoic acid
CID 119368655
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 24513186

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide (CID 34000828) is N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide is CC(C)C(=O)N1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide?
The InChIKey is IHWWZHBDXJGTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)19(25)22-9-7-15(8-10-22)20-16-6-3-13(11-17(16)23(26)27)18(24)21-14-4-5-14/h3,6,11-12,14-15,20H,4-5,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide?
N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide has a molecular weight of 374.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide is sourced from PubChem (CID 34000828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).