N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide

C16H22N4O5S — CID 9145817

IUPACN-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide
SMILESCNc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H22N4O5S/c1-17-14-5-4-13(10-15(14)20(22)23)26(24,25)19-8-6-11(7-9-19)16(21)18-12-2-3-12/h4-5,10-12,17H,2-3,6-9H2,1H3,(H,18,21)
InChIKeyMDPAZQTYBFKFRH-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.32
Rot. Bonds6

About N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 9145817) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide
PubChem CID9145817
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide
SMILESCNc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H22N4O5S/c1-17-14-5-4-13(10-15(14)20(22)23)26(24,25)19-8-6-11(7-9-19)16(21)18-12-2-3-12/h4-5,10-12,17H,2-3,6-9H2,1H3,(H,18,21)
InChIKeyMDPAZQTYBFKFRH-UHFFFAOYSA-N
XLogP1.32
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
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N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614
N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
1-(4-chloro-3-nitrophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 9442223

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide (CID 9145817) is N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide is CNc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is MDPAZQTYBFKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-17-14-5-4-13(10-15(14)20(22)23)26(24,25)19-8-6-11(7-9-19)16(21)18-12-2-3-12/h4-5,10-12,17H,2-3,6-9H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 9145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).