[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone

C18H28N4O — CID 124856003

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C18H28N4O/c1-15-12-20(2)9-10-22(15)18(23)17-6-4-8-21(14-17)13-16-5-3-7-19-11-16/h3,5,7,11,15,17H,4,6,8-10,12-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyDNVXKCQWIQIGEB-WBVHZDCISA-N
MW316.45 g/mol
LogP1.46
Rot. Bonds3

About [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone (PubChem CID 124856003) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
PubChem CID124856003
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C18H28N4O/c1-15-12-20(2)9-10-22(15)18(23)17-6-4-8-21(14-17)13-16-5-3-7-19-11-16/h3,5,7,11,15,17H,4,6,8-10,12-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyDNVXKCQWIQIGEB-WBVHZDCISA-N
XLogP1.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 126837846
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 45178461
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
(3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95275460
(3S)-N-(cyclopropylmethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571064
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone (CID 124856003) is [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone is C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is DNVXKCQWIQIGEB-WBVHZDCISA-N. The full InChI is InChI=1S/C18H28N4O/c1-15-12-20(2)9-10-22(15)18(23)17-6-4-8-21(14-17)13-16-5-3-7-19-11-16/h3,5,7,11,15,17H,4,6,8-10,12-14H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 124856003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).