N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide

C13H17N3O3 — CID 60876167

IUPACN-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)C1CCCNC1
InChIInChI=1S/C13H17N3O3/c17-13(11-2-1-7-14-9-11)15-8-10-3-5-12(6-4-10)16(18)19/h3-6,11,14H,1-2,7-9H2,(H,15,17)
InChIKeyJZTUVYNEEGCLRX-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.21
Rot. Bonds4

About N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide

N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide (PubChem CID 60876167) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
PubChem CID60876167
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)C1CCCNC1
InChIInChI=1S/C13H17N3O3/c17-13(11-2-1-7-14-9-11)15-8-10-3-5-12(6-4-10)16(18)19/h3-6,11,14H,1-2,7-9H2,(H,15,17)
InChIKeyJZTUVYNEEGCLRX-UHFFFAOYSA-N
XLogP1.21
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
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-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 81140879
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[2-(4-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745885
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide (CID 60876167) is N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCCNC1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JZTUVYNEEGCLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(11-2-1-7-14-9-11)15-8-10-3-5-12(6-4-10)16(18)19/h3-6,11,14H,1-2,7-9H2,(H,15,17).
What are the key properties of N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide?
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 60876167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).