1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C18H27N3O4 — CID 26861360

IUPAC1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H27N3O4/c1-14(2)25-13-5-10-19-18(22)15-8-11-20(12-9-15)16-6-3-4-7-17(16)21(23)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,19,22)
InChIKeyFTQSFJZHALIRSN-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.74
Rot. Bonds8

About 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 26861360) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID26861360
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H27N3O4/c1-14(2)25-13-5-10-19-18(22)15-8-11-20(12-9-15)16-6-3-4-7-17(16)21(23)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,19,22)
InChIKeyFTQSFJZHALIRSN-UHFFFAOYSA-N
XLogP2.74
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 36911975
N-[2-(4-ethoxyphenoxy)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9022621
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25356834
N-(6-methylheptan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 43000012
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26993493
1-[(2S)-1-methoxypropan-2-yl]-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea
CID 9160710
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 26861360) is 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is FTQSFJZHALIRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14(2)25-13-5-10-19-18(22)15-8-11-20(12-9-15)16-6-3-4-7-17(16)21(23)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 26861360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).