N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide

C13H27N3O — CID 103779047

IUPACN-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
SMILESCNC(=O)CCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)10-16-8-5-12(6-9-16)15-7-4-13(17)14-3/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyDIKLHIUMKRGDCM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide

N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide (PubChem CID 103779047) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
PubChem CID103779047
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
SMILESCNC(=O)CCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)10-16-8-5-12(6-9-16)15-7-4-13(17)14-3/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyDIKLHIUMKRGDCM-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119841092
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide (CID 103779047) is N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide is CNC(=O)CCNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide?
The InChIKey is DIKLHIUMKRGDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)10-16-8-5-12(6-9-16)15-7-4-13(17)14-3/h11-12,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide?
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide is sourced from PubChem (CID 103779047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).