6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C24H32N4O3 — CID 46381270

IUPAC6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C24H32N4O3/c1-25-21(17-22(29)26(2)24(25)31)27-14-10-20(11-15-27)23(30)28-12-8-19(9-13-28)16-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3
InChIKeyISEVSRSFOHUTAM-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.78
Rot. Bonds4

About 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 46381270) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID46381270
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C24H32N4O3/c1-25-21(17-22(29)26(2)24(25)31)27-14-10-20(11-15-27)23(30)28-12-8-19(9-13-28)16-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3
InChIKeyISEVSRSFOHUTAM-UHFFFAOYSA-N
XLogP1.78
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
(4-benzylpiperidin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600251
6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 95086059
1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 19012064
(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
CID 110855778
3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 17379093
1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 20972443
(1S,2R,3R,4R)-3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 756892

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 46381270) is 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ISEVSRSFOHUTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-25-21(17-22(29)26(2)24(25)31)27-14-10-20(11-15-27)23(30)28-12-8-19(9-13-28)16-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3.
What are the key properties of 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 424.55 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46381270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).