2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide

C13H27N3O — CID 114499454

IUPAC2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
SMILESCCCNC1CCN(C(CC)C(N)=O)CC1C
InChIInChI=1S/C13H27N3O/c1-4-7-15-11-6-8-16(9-10(11)3)12(5-2)13(14)17/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyITNSBWOTEPRVMX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide

2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide (PubChem CID 114499454) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
PubChem CID114499454
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
SMILESCCCNC1CCN(C(CC)C(N)=O)CC1C
InChIInChI=1S/C13H27N3O/c1-4-7-15-11-6-8-16(9-10(11)3)12(5-2)13(14)17/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyITNSBWOTEPRVMX-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499445
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
CID 62899302
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
N-cyclopropyl-3-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499450
(3-methyloxolan-2-yl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498603

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide?
The IUPAC name of 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide (CID 114499454) is 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide.
What is the SMILES notation for 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide?
The canonical SMILES for 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide is CCCNC1CCN(C(CC)C(N)=O)CC1C.
What is the InChIKey of 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide?
The InChIKey is ITNSBWOTEPRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-7-15-11-6-8-16(9-10(11)3)12(5-2)13(14)17/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide?
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide is sourced from PubChem (CID 114499454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).