N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide

C15H21N3O3 — CID 120553171

IUPACN-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
SMILESCC1CNCCC1NC(=O)CCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-11-10-16-8-7-14(11)17-15(19)6-5-12-3-2-4-13(9-12)18(20)21/h2-4,9,11,14,16H,5-8,10H2,1H3,(H,17,19)
InChIKeyAVBSLECRJFCNMS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.64
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide

N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide (PubChem CID 120553171) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
PubChem CID120553171
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
SMILESCC1CNCCC1NC(=O)CCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-11-10-16-8-7-14(11)17-15(19)6-5-12-3-2-4-13(9-12)18(20)21/h2-4,9,11,14,16H,5-8,10H2,1H3,(H,17,19)
InChIKeyAVBSLECRJFCNMS-UHFFFAOYSA-N
XLogP1.64
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.64
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

3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120553920
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide (CID 120553171) is N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide is CC1CNCCC1NC(=O)CCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide?
The InChIKey is AVBSLECRJFCNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-10-16-8-7-14(11)17-15(19)6-5-12-3-2-4-13(9-12)18(20)21/h2-4,9,11,14,16H,5-8,10H2,1H3,(H,17,19).
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide?
N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide is sourced from PubChem (CID 120553171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).