3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide

C17H27N3O — CID 115583169

IUPAC3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCN(C)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-15-8-6-13-20(14-15)17(21)18-11-7-12-19(2)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,18,21)
InChIKeyUFXMCYPJGOPSAN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.95
Rot. Bonds5

About 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide

3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide (PubChem CID 115583169) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
PubChem CID115583169
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCN(C)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-15-8-6-13-20(14-15)17(21)18-11-7-12-19(2)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,18,21)
InChIKeyUFXMCYPJGOPSAN-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504127
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide
CID 97317437
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 62655954
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
5-methyl-N-[4-(N-methylanilino)butyl]-1,4-oxazepane-4-carboxamide
CID 84596201
2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 25344786
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide (CID 115583169) is 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NCCCN(C)c2ccccc2)C1.
What is the InChIKey of 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide?
The InChIKey is UFXMCYPJGOPSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-8-6-13-20(14-15)17(21)18-11-7-12-19(2)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide?
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 115583169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).