N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide

C12H25N3O — CID 60677160

IUPACN-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)15-7-5-11(6-8-15)14-10(3)12(16)13-4/h9-11,14H,5-8H2,1-4H3,(H,13,16)
InChIKeyWZYFQQIFCCQMLS-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide

N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide (PubChem CID 60677160) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
PubChem CID60677160
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)15-7-5-11(6-8-15)14-10(3)12(16)13-4/h9-11,14H,5-8H2,1-4H3,(H,13,16)
InChIKeyWZYFQQIFCCQMLS-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 103923548
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
tert-butyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]azepane-1-carboxylate
CID 103981825
3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
CID 115572761
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 43700528
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65333127
2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65077029
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide (CID 60677160) is N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide is CNC(=O)C(C)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide?
The InChIKey is WZYFQQIFCCQMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15-7-5-11(6-8-15)14-10(3)12(16)13-4/h9-11,14H,5-8H2,1-4H3,(H,13,16).
What are the key properties of N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide?
N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 60677160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).