[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone

C19H29N5O — CID 129427634

IUPAC[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H29N5O/c1-22-10-3-6-16(22)17-7-4-12-24(17)19(25)15-5-2-11-23(14-15)18-13-20-8-9-21-18/h8-9,13,15-17H,2-7,10-12,14H2,1H3/t15-,16+,17+/m0/s1
InChIKeyDJJPCHPZMGHGJJ-GVDBMIGSSA-N
MW343.48 g/mol
LogP1.78
Rot. Bonds3

About [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone

[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone (PubChem CID 129427634) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
PubChem CID129427634
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H29N5O/c1-22-10-3-6-16(22)17-7-4-12-24(17)19(25)15-5-2-11-23(14-15)18-13-20-8-9-21-18/h8-9,13,15-17H,2-7,10-12,14H2,1H3/t15-,16+,17+/m0/s1
InChIKeyDJJPCHPZMGHGJJ-GVDBMIGSSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95579135
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
cyclopentyl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95311578
cyclobutyl-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428271
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone (CID 129427634) is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone is CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The InChIKey is DJJPCHPZMGHGJJ-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H29N5O/c1-22-10-3-6-16(22)17-7-4-12-24(17)19(25)15-5-2-11-23(14-15)18-13-20-8-9-21-18/h8-9,13,15-17H,2-7,10-12,14H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 129427634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).