N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide

C15H21N3O3 — CID 81048657

IUPACN-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C15H21N3O3/c1-11(12-5-4-8-16-10-12)9-15(19)17-13-6-2-3-7-14(13)18(20)21/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyHLSHNKZBXMBBBN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.56
Rot. Bonds5

About N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide

N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide (PubChem CID 81048657) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
PubChem CID81048657
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C15H21N3O3/c1-11(12-5-4-8-16-10-12)9-15(19)17-13-6-2-3-7-14(13)18(20)21/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyHLSHNKZBXMBBBN-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-[2-(2-nitroanilino)ethyl]-3-piperidin-3-ylbutanamide
CID 119692379
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide (CID 81048657) is N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is HLSHNKZBXMBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(12-5-4-8-16-10-12)9-15(19)17-13-6-2-3-7-14(13)18(20)21/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H,17,19).
What are the key properties of N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide?
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 291.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81048657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).