4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide

C12H25N3O — CID 79163549

IUPAC4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
SMILESCCCNCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O/c1-3-6-13-7-8-14-12(16)15-9-4-11(2)5-10-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyJTNCQMIBCKVSJZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds5

About 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide

4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide (PubChem CID 79163549) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
PubChem CID79163549
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
SMILESCCCNCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O/c1-3-6-13-7-8-14-12(16)15-9-4-11(2)5-10-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyJTNCQMIBCKVSJZ-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide
CID 143816836
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
CID 79337921
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 113229953
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide (CID 79163549) is 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide is CCCNCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is JTNCQMIBCKVSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-6-13-7-8-14-12(16)15-9-4-11(2)5-10-15/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide?
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 79163549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).