[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone

C14H19N3O3 — CID 119562505

IUPAC[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H19N3O3/c1-10-3-4-11(9-13(10)17(19)20)14(18)16-7-5-12(15-2)6-8-16/h3-4,9,12,15H,5-8H2,1-2H3
InChIKeyRKXFDSAYQQTQOM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone

[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone (PubChem CID 119562505) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
PubChem CID119562505
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H19N3O3/c1-10-3-4-11(9-13(10)17(19)20)14(18)16-7-5-12(15-2)6-8-16/h3-4,9,12,15H,5-8H2,1-2H3
InChIKeyRKXFDSAYQQTQOM-UHFFFAOYSA-N
XLogP1.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
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

tert-butyl N-[1-(4-methyl-3-nitrobenzoyl)piperidin-4-yl]carbamate
CID 55736035
[4-(ethylaminomethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119646891
(4-anilino-3-nitrophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562685
[4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563649
(4-methyl-3-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939085
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methyl-3-nitrophenyl)methanone
CID 81486037
(4-methyl-3-nitrophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999434
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 32528473
(4-hydroxypiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 9245657
(4-methoxy-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413913
(4-methyl-3-nitrophenyl)-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 90629388

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone (CID 119562505) is [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone is CNC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
The InChIKey is RKXFDSAYQQTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-3-4-11(9-13(10)17(19)20)14(18)16-7-5-12(15-2)6-8-16/h3-4,9,12,15H,5-8H2,1-2H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone?
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 119562505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).