(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H21N5O3 — CID 37165093

IUPAC(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C18H21N5O3/c19-16(24)12-26-15-5-3-14(4-6-15)22-18(25)13-2-1-9-23(11-13)17-10-20-7-8-21-17/h3-8,10,13H,1-2,9,11-12H2,(H2,19,24)(H,22,25)/t13-/m1/s1
InChIKeyRQLRIHMVCKWYCT-CYBMUJFWSA-N
MW355.40 g/mol
LogP1.20
Rot. Bonds6

About (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37165093) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37165093
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C18H21N5O3/c19-16(24)12-26-15-5-3-14(4-6-15)22-18(25)13-2-1-9-23(11-13)17-10-20-7-8-21-17/h3-8,10,13H,1-2,9,11-12H2,(H2,19,24)(H,22,25)/t13-/m1/s1
InChIKeyRQLRIHMVCKWYCT-CYBMUJFWSA-N
XLogP1.20
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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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-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954768
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 167808965
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37165093) is (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is NC(=O)COc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is RQLRIHMVCKWYCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-16(24)12-26-15-5-3-14(4-6-15)22-18(25)13-2-1-9-23(11-13)17-10-20-7-8-21-17/h3-8,10,13H,1-2,9,11-12H2,(H2,19,24)(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37165093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).