2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide

C15H31N3O — CID 115649935

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC1CCN(C)CC1C
InChIInChI=1S/C15H31N3O/c1-7-15(4,5)17-14(19)12(3)16-13-8-9-18(6)10-11(13)2/h11-13,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyJIHCVAQVGXQPKM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds5

About 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 115649935) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID115649935
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC1CCN(C)CC1C
InChIInChI=1S/C15H31N3O/c1-7-15(4,5)17-14(19)12(3)16-13-8-9-18(6)10-11(13)2/h11-13,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyJIHCVAQVGXQPKM-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
CID 115649947
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115649942
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
CID 114503255
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 60975769
2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
CID 114505682
N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
CID 112700338
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
2-carbamothioyl-N-(1,3-dimethylpiperidin-4-yl)-2-ethylbutanamide
CID 114504046
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 115649935) is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NC1CCN(C)CC1C.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is JIHCVAQVGXQPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-7-15(4,5)17-14(19)12(3)16-13-8-9-18(6)10-11(13)2/h11-13,16H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115649935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).