N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide

C20H33N5O — CID 95871480

IUPACN-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCN(CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H33N5O/c1-15(2)12-21-20(26)14-24-8-6-7-17(13-24)18-11-19(23-16(3)22-18)25-9-4-5-10-25/h11,15,17H,4-10,12-14H2,1-3H3,(H,21,26)/t17-/m1/s1
InChIKeyUHGRPXHEYPUUCO-QGZVFWFLSA-N
MW359.52 g/mol
LogP2.34
Rot. Bonds6

About N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide

N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide (PubChem CID 95871480) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
PubChem CID95871480
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCN(CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H33N5O/c1-15(2)12-21-20(26)14-24-8-6-7-17(13-24)18-11-19(23-16(3)22-18)25-9-4-5-10-25/h11,15,17H,4-10,12-14H2,1-3H3,(H,21,26)/t17-/m1/s1
InChIKeyUHGRPXHEYPUUCO-QGZVFWFLSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95876230
N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 56881607
N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95896261
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
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006
5-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 56901655
(5-methyl-3-pyridinyl)-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70705436

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide (CID 95871480) is N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide is Cc1nc([C@@H]2CCCN(CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The InChIKey is UHGRPXHEYPUUCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15(2)12-21-20(26)14-24-8-6-7-17(13-24)18-11-19(23-16(3)22-18)25-9-4-5-10-25/h11,15,17H,4-10,12-14H2,1-3H3,(H,21,26)/t17-/m1/s1.
What are the key properties of N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide has a molecular weight of 359.52 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95871480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).