3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C15H29N3O2 — CID 71840428

IUPAC3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-11(2)8-17-15(20)18-7-5-6-13(10-18)9-16-14(19)12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyMMTNGGMTXPZTCI-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.84
Rot. Bonds5

About 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide

3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 71840428) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID71840428
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-11(2)8-17-15(20)18-7-5-6-13(10-18)9-16-14(19)12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyMMTNGGMTXPZTCI-UHFFFAOYSA-N
XLogP1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide 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

N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 71840458
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 122126635
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761565
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 71840428) is 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(CNC(=O)C(C)C)C1.
What is the InChIKey of 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is MMTNGGMTXPZTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(2)8-17-15(20)18-7-5-6-13(10-18)9-16-14(19)12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71840428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).