[1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H34N6O — CID 56868386

IUPAC[1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)c1nccnc1N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H34N6O/c1-24(2)19-20(23-10-9-22-19)25-14-7-18(8-15-25)27-13-5-6-17(16-27)21(28)26-11-3-4-12-26/h9-10,17-18H,3-8,11-16H2,1-2H3
InChIKeyUEYMNXOQHLURCT-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.85
Rot. Bonds4

About [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56868386) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56868386
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC Name[1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)c1nccnc1N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H34N6O/c1-24(2)19-20(23-10-9-22-19)25-14-7-18(8-15-25)27-13-5-6-17(16-27)21(28)26-11-3-4-12-26/h9-10,17-18H,3-8,11-16H2,1-2H3
InChIKeyUEYMNXOQHLURCT-UHFFFAOYSA-N
XLogP1.85
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

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CID 72880762
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CID 95042953
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
CID 97402611
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 97508725
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
N-cyclopentyl-3-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 110254125
N,N-dimethyl-3-(2-{1-[(1-methyl-3-piperidinyl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72940770
3-[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 92422890
1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 94603474
1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
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(4aS*,8aR*)-1-[3-(1H-imidazol-1-yl)propyl]-6-pyrazin-2-yloctahydro-1,6-naphthyridin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56868386) is [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CN(C)c1nccnc1N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UEYMNXOQHLURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-24(2)19-20(23-10-9-22-19)25-14-7-18(8-15-25)27-13-5-6-17(16-27)21(28)26-11-3-4-12-26/h9-10,17-18H,3-8,11-16H2,1-2H3.
What are the key properties of [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 386.54 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56868386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).