1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C21H35N5O — CID 17452594

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(N2CCN(C(C)C(=O)N3CCC(C)CC3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H35N5O/c1-15(2)20-22-17(4)14-19(23-20)25-12-10-24(11-13-25)18(5)21(27)26-8-6-16(3)7-9-26/h14-16,18H,6-13H2,1-5H3
InChIKeyHAAUNRPSWONTEY-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 17452594) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID17452594
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(N2CCN(C(C)C(=O)N3CCC(C)CC3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H35N5O/c1-15(2)20-22-17(4)14-19(23-20)25-12-10-24(11-13-25)18(5)21(27)26-8-6-16(3)7-9-26/h14-16,18H,6-13H2,1-5H3
InChIKeyHAAUNRPSWONTEY-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide
CID 51112532
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610
N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 31669174
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159
cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 95318242
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51244375
4-[(2S)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 26639966

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 17452594) is 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is Cc1cc(N2CCN(C(C)C(=O)N3CCC(C)CC3)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is HAAUNRPSWONTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-15(2)20-22-17(4)14-19(23-20)25-12-10-24(11-13-25)18(5)21(27)26-8-6-16(3)7-9-26/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 373.55 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17452594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).