N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide

C20H33N5O — CID 56881607

IUPACN-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(C2CCCN(CC(=O)N(C)C(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H33N5O/c1-15(2)23(4)20(26)14-24-9-7-8-17(13-24)18-12-19(22-16(3)21-18)25-10-5-6-11-25/h12,15,17H,5-11,13-14H2,1-4H3
InChIKeyNJHBXIJCYSLLOZ-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide

N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 56881607) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID56881607
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(C2CCCN(CC(=O)N(C)C(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H33N5O/c1-15(2)23(4)20(26)14-24-9-7-8-17(13-24)18-12-19(22-16(3)21-18)25-10-5-6-11-25/h12,15,17H,5-11,13-14H2,1-4H3
InChIKeyNJHBXIJCYSLLOZ-UHFFFAOYSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95871480
N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95876230
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56900896
1-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285
2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95896261
(5-methyl-3-pyridinyl)-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70705436
(3-hydroxy-4-methylphenyl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95870156
5-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 56901655

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 56881607) is N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide is Cc1nc(C2CCCN(CC(=O)N(C)C(C)C)C2)cc(N2CCCC2)n1.
What is the InChIKey of N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NJHBXIJCYSLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15(2)23(4)20(26)14-24-9-7-8-17(13-24)18-12-19(22-16(3)21-18)25-10-5-6-11-25/h12,15,17H,5-11,13-14H2,1-4H3.
What are the key properties of N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 359.52 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56881607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).