N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide

C16H23N3O3 — CID 119670842

IUPACN-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O3/c1-11-3-4-14(10-15(11)19(21)22)18-16(20)9-12(2)13-5-7-17-8-6-13/h3-4,10,12-13,17H,5-9H2,1-2H3,(H,18,20)
InChIKeyKHZNFUCMFNOGLT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.87
Rot. Bonds5

About N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide

N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119670842) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
PubChem CID119670842
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O3/c1-11-3-4-14(10-15(11)19(21)22)18-16(20)9-12(2)13-5-7-17-8-6-13/h3-4,10,12-13,17H,5-9H2,1-2H3,(H,18,20)
InChIKeyKHZNFUCMFNOGLT-UHFFFAOYSA-N
XLogP2.87
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.87
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

2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-(2-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676039
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide (CID 119670842) is N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide is Cc1ccc(NC(=O)CC(C)C2CCNCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is KHZNFUCMFNOGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-3-4-14(10-15(11)19(21)22)18-16(20)9-12(2)13-5-7-17-8-6-13/h3-4,10,12-13,17H,5-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide?
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 305.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119670842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).