2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide

C15H31N3O — CID 115649947

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCN(C)CC1C
InChIInChI=1S/C15H31N3O/c1-6-13(7-2)17-15(19)12(4)16-14-8-9-18(5)10-11(14)3/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyWYWPJTKUXBRZPH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

About 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide (PubChem CID 115649947) 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-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
PubChem CID115649947
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCN(C)CC1C
InChIInChI=1S/C15H31N3O/c1-6-13(7-2)17-15(19)12(4)16-14-8-9-18(5)10-11(14)3/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyWYWPJTKUXBRZPH-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(2-methylbutan-2-yl)propanamide
CID 115649935
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115649942
methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
CID 114503255
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
5-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 114504596
2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
CID 114505682
2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
CID 114503113
N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
ethyl 2-amino-3-[(1,3-dimethylpiperidin-4-yl)amino]-3-oxopropanoate
CID 114503628
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide (CID 115649947) is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1CCN(C)CC1C.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is WYWPJTKUXBRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-13(7-2)17-15(19)12(4)16-14-8-9-18(5)10-11(14)3/h11-14,16H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide?
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 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-pentan-3-ylpropanamide is sourced from PubChem (CID 115649947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).