2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide

C16H23ClN4O3 — CID 120775302

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H23ClN4O3/c1-10(20-7-6-14(18)16(2,3)9-20)15(22)19-13-8-11(21(23)24)4-5-12(13)17/h4-5,8,10,14H,6-7,9,18H2,1-3H3,(H,19,22)
InChIKeyNVFMHLBVWMVHGC-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide (PubChem CID 120775302) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide
PubChem CID120775302
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H23ClN4O3/c1-10(20-7-6-14(18)16(2,3)9-20)15(22)19-13-8-11(21(23)24)4-5-12(13)17/h4-5,8,10,14H,6-7,9,18H2,1-3H3,(H,19,22)
InChIKeyNVFMHLBVWMVHGC-UHFFFAOYSA-N
XLogP2.63
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 2120035
N-(2,5-dichlorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46801147
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide (CID 120775302) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide is CC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide?
The InChIKey is NVFMHLBVWMVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-10(20-7-6-14(18)16(2,3)9-20)15(22)19-13-8-11(21(23)24)4-5-12(13)17/h4-5,8,10,14H,6-7,9,18H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide has a molecular weight of 354.84 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide is sourced from PubChem (CID 120775302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).