(2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide

C21H31N5O2 — CID 164640550

IUPAC(2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C21H31N5O2/c1-24(17-8-13-25(14-9-17)19-15-22-10-11-23-19)21(28)18-7-4-12-26(18)20(27)16-5-2-3-6-16/h10-11,15-18H,2-9,12-14H2,1H3/t18-/m0/s1
InChIKeyKAJRXPTZECJOEG-SFHVURJKSA-N
MW385.51 g/mol
LogP2.09
Rot. Bonds4

About (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide

(2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 164640550) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID164640550
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name(2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C21H31N5O2/c1-24(17-8-13-25(14-9-17)19-15-22-10-11-23-19)21(28)18-7-4-12-26(18)20(27)16-5-2-3-6-16/h10-11,15-18H,2-9,12-14H2,1H3/t18-/m0/s1
InChIKeyKAJRXPTZECJOEG-SFHVURJKSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 164640550) is (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is KAJRXPTZECJOEG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-24(17-8-13-25(14-9-17)19-15-22-10-11-23-19)21(28)18-7-4-12-26(18)20(27)16-5-2-3-6-16/h10-11,15-18H,2-9,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 164640550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).