(3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H35N5O2 — CID 37026778

IUPAC(3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCC(CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-3-17(4-2)19(25-10-12-28-13-11-25)14-24-21(27)18-6-5-9-26(16-18)20-15-22-7-8-23-20/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H,24,27)/t18-,19-/m1/s1
InChIKeyBUAQLXJKGNRBIB-RTBURBONSA-N
MW389.54 g/mol
LogP1.95
Rot. Bonds8

About (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37026778) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37026778
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name(3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCC(CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-3-17(4-2)19(25-10-12-28-13-11-25)14-24-21(27)18-6-5-9-26(16-18)20-15-22-7-8-23-20/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H,24,27)/t18-,19-/m1/s1
InChIKeyBUAQLXJKGNRBIB-RTBURBONSA-N
XLogP1.95
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94129224
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 38504692

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37026778) is (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)N1CCOCC1.
What is the InChIKey of (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is BUAQLXJKGNRBIB-RTBURBONSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-3-17(4-2)19(25-10-12-28-13-11-25)14-24-21(27)18-6-5-9-26(16-18)20-15-22-7-8-23-20/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H,24,27)/t18-,19-/m1/s1.
What are the key properties of (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37026778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).