(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C20H25N5O2 — CID 36997778

IUPAC(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H25N5O2/c26-20(16-2-1-9-25(15-16)19-14-21-7-8-22-19)23-17-3-5-18(6-4-17)24-10-12-27-13-11-24/h3-8,14,16H,1-2,9-13,15H2,(H,23,26)/t16-/m1/s1
InChIKeyCVKIGMUBKPGROU-MRXNPFEDSA-N
MW367.45 g/mol
LogP2.17
Rot. Bonds4

About (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 36997778) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID36997778
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H25N5O2/c26-20(16-2-1-9-25(15-16)19-14-21-7-8-22-19)23-17-3-5-18(6-4-17)24-10-12-27-13-11-24/h3-8,14,16H,1-2,9-13,15H2,(H,23,26)/t16-/m1/s1
InChIKeyCVKIGMUBKPGROU-MRXNPFEDSA-N
XLogP2.17
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954768
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94129224
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 36997778) is (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is CVKIGMUBKPGROU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(16-2-1-9-25(15-16)19-14-21-7-8-22-19)23-17-3-5-18(6-4-17)24-10-12-27-13-11-24/h3-8,14,16H,1-2,9-13,15H2,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 36997778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).