[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone

C18H29N5O — CID 100871021

IUPAC[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@H]2CCCN(c3cnccn3)C2)C[C@@H]1N(C)C
InChIInChI=1S/C18H29N5O/c1-4-14-11-23(13-16(14)21(2)3)18(24)15-6-5-9-22(12-15)17-10-19-7-8-20-17/h7-8,10,14-16H,4-6,9,11-13H2,1-3H3/t14-,15+,16+/m1/s1
InChIKeyZAAXFRTXMWAIEV-PMPSAXMXSA-N
MW331.46 g/mol
LogP1.49
Rot. Bonds4

About [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone

[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone (PubChem CID 100871021) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
PubChem CID100871021
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@H]2CCCN(c3cnccn3)C2)C[C@@H]1N(C)C
InChIInChI=1S/C18H29N5O/c1-4-14-11-23(13-16(14)21(2)3)18(24)15-6-5-9-22(12-15)17-10-19-7-8-20-17/h7-8,10,14-16H,4-6,9,11-13H2,1-3H3/t14-,15+,16+/m1/s1
InChIKeyZAAXFRTXMWAIEV-PMPSAXMXSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 32647962
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 75414525
(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94101331
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone (CID 100871021) is [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone is CC[C@@H]1CN(C(=O)[C@H]2CCCN(c3cnccn3)C2)C[C@@H]1N(C)C.
What is the InChIKey of [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The InChIKey is ZAAXFRTXMWAIEV-PMPSAXMXSA-N. The full InChI is InChI=1S/C18H29N5O/c1-4-14-11-23(13-16(14)21(2)3)18(24)15-6-5-9-22(12-15)17-10-19-7-8-20-17/h7-8,10,14-16H,4-6,9,11-13H2,1-3H3/t14-,15+,16+/m1/s1.
What are the key properties of [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 100871021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).