N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H28ClN3O3 — CID 119814380

IUPACN-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCNC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-13(14-5-4-10-19-12-14)11-17(22)20-18(2,3)15-6-8-16(9-7-15)21(23)24;/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,20,22);1H
InChIKeyMOPXKRLFNJZXOI-UHFFFAOYSA-N
MW369.89 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119814380) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119814380
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC NameN-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCNC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-13(14-5-4-10-19-12-14)11-17(22)20-18(2,3)15-6-8-16(9-7-15)21(23)24;/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,20,22);1H
InChIKeyMOPXKRLFNJZXOI-UHFFFAOYSA-N
XLogP3.39
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 53.39
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

1-[4-(4-nitrobenzoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119799618
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[2-(2-nitroanilino)ethyl]-3-piperidin-3-ylbutanamide
CID 119692379
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119808542
1-(6-nitro-2,3-dihydroindol-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119699455
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119755122
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119814380) is N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is MOPXKRLFNJZXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-13(14-5-4-10-19-12-14)11-17(22)20-18(2,3)15-6-8-16(9-7-15)21(23)24;/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119814380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).