(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

C20H23N5O3 — CID 100652570

IUPAC(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1
InChIInChI=1S/C20H23N5O3/c1-27-16-6-4-15(5-7-16)8-9-24-20(26)25-12-2-3-17(14-25)28-19-18(13-21)22-10-11-23-19/h4-7,10-11,17H,2-3,8-9,12,14H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyQHIRBQRIRFMMPQ-QGZVFWFLSA-N
MW381.44 g/mol
LogP2.15
Rot. Bonds6

About (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 100652570) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID100652570
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1
InChIInChI=1S/C20H23N5O3/c1-27-16-6-4-15(5-7-16)8-9-24-20(26)25-12-2-3-17(14-25)28-19-18(13-21)22-10-11-23-19/h4-7,10-11,17H,2-3,8-9,12,14H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyQHIRBQRIRFMMPQ-QGZVFWFLSA-N
XLogP2.15
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 91626201
3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628023
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251081
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627990
3-[(3S)-1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649784
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628045
3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649641
3-[(3S)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649655
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628030
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650467

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 100652570) is (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccc(CCNC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1.
What is the InChIKey of (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is QHIRBQRIRFMMPQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-16-6-4-15(5-7-16)8-9-24-20(26)25-12-2-3-17(14-25)28-19-18(13-21)22-10-11-23-19/h4-7,10-11,17H,2-3,8-9,12,14H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 100652570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).