N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C21H34N6O — CID 126792840

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(N4CCCC4)CC3)CC2)nc(C)n1
InChIInChI=1S/C21H34N6O/c1-16-15-20(23-17(2)22-16)26-11-5-18(6-12-26)24-21(28)27-13-7-19(8-14-27)25-9-3-4-10-25/h15,18-19H,3-14H2,1-2H3,(H,24,28)
InChIKeyYICGSJYZGYAOQR-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.33
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 126792840) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID126792840
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(N4CCCC4)CC3)CC2)nc(C)n1
InChIInChI=1S/C21H34N6O/c1-16-15-20(23-17(2)22-16)26-11-5-18(6-12-26)24-21(28)27-13-7-19(8-14-27)25-9-3-4-10-25/h15,18-19H,3-14H2,1-2H3,(H,24,28)
InChIKeyYICGSJYZGYAOQR-UHFFFAOYSA-N
XLogP2.33
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
4-Methyl-2,6-di(piperidin-1-yl)pyrimidine
CID 893737
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpiperazine-1-carboxamide
CID 73669717
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-ethylpiperazine-1-carboxamide
CID 73669718
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(cyclopropylmethyl)piperazine-1-carboxamide
CID 73669893
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclohexylpiperazine-1-carboxamide
CID 73669894
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-[1,4'-bipiperidine]-1'-carboxamide
CID 73670059
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 73670219
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclopropylpiperazine-1-carboxamide
CID 73671524
4-propan-2-yl-N-[4-[4-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]piperazine-1-carboxamide
CID 137554067

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 126792840) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is Cc1cc(N2CCC(NC(=O)N3CCC(N4CCCC4)CC3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is YICGSJYZGYAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-16-15-20(23-17(2)22-16)26-11-5-18(6-12-26)24-21(28)27-13-7-19(8-14-27)25-9-3-4-10-25/h15,18-19H,3-14H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 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]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126792840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).