N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C22H26ClN3O3 — CID 52707327

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O3/c1-22(2,17-7-9-18(23)10-8-17)15-24-21(27)16-11-13-25(14-12-16)19-5-3-4-6-20(19)26(28)29/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyYLHWAEYDLBUNJH-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.56
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 52707327) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID52707327
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O3/c1-22(2,17-7-9-18(23)10-8-17)15-24-21(27)16-11-13-25(14-12-16)19-5-3-4-6-20(19)26(28)29/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyYLHWAEYDLBUNJH-UHFFFAOYSA-N
XLogP4.56
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
methyl (3S)-3-(4-chlorophenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate
CID 27700758
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 42907237
1-(2-nitrophenyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46600224
(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794243
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46579766
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55728023
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 52707327) is N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is YLHWAEYDLBUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-22(2,17-7-9-18(23)10-8-17)15-24-21(27)16-11-13-25(14-12-16)19-5-3-4-6-20(19)26(28)29/h3-10,16H,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 415.92 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 52707327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).