N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide

C16H27N5O — CID 119897687

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C16H27N5O/c1-11(10-17-4)16(22)20-14-5-7-21(8-6-14)15-9-12(2)18-13(3)19-15/h9,11,14,17H,5-8,10H2,1-4H3,(H,20,22)
InChIKeyLMSZFWQZCADSTN-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.03
Rot. Bonds5

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119897687) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119897687
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C16H27N5O/c1-11(10-17-4)16(22)20-14-5-7-21(8-6-14)15-9-12(2)18-13(3)19-15/h9,11,14,17H,5-8,10H2,1-4H3,(H,20,22)
InChIKeyLMSZFWQZCADSTN-UHFFFAOYSA-N
XLogP1.03
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
CID 146126199
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
CID 120638469
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 119897645
1-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]urea
CID 167856636
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 84585882
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 71977381

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide (CID 119897687) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is LMSZFWQZCADSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-11(10-17-4)16(22)20-14-5-7-21(8-6-14)15-9-12(2)18-13(3)19-15/h9,11,14,17H,5-8,10H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 305.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119897687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).