1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide

C23H31N5O3 — CID 156541117

IUPAC1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide
SMILESCCOc1ccccc1O[C@@H]1CCCN(c2cncc(N3CCC(C)(C(N)=O)C3)n2)C1
InChIInChI=1S/C23H31N5O3/c1-3-30-18-8-4-5-9-19(18)31-17-7-6-11-27(15-17)20-13-25-14-21(26-20)28-12-10-23(2,16-28)22(24)29/h4-5,8-9,13-14,17H,3,6-7,10-12,15-16H2,1-2H3,(H2,24,29)/t17-,23?/m1/s1
InChIKeyVYOHNNKEIUPFIH-LIXIDFRTSA-N
MW425.53 g/mol
LogP2.62
Rot. Bonds7

About 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide

1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 156541117) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide
PubChem CID156541117
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide
SMILESCCOc1ccccc1O[C@@H]1CCCN(c2cncc(N3CCC(C)(C(N)=O)C3)n2)C1
InChIInChI=1S/C23H31N5O3/c1-3-30-18-8-4-5-9-19(18)31-17-7-6-11-27(15-17)20-13-25-14-21(26-20)28-12-10-23(2,16-28)22(24)29/h4-5,8-9,13-14,17H,3,6-7,10-12,15-16H2,1-2H3,(H2,24,29)/t17-,23?/m1/s1
InChIKeyVYOHNNKEIUPFIH-LIXIDFRTSA-N
XLogP2.62
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide (CID 156541117) is 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide is CCOc1ccccc1O[C@@H]1CCCN(c2cncc(N3CCC(C)(C(N)=O)C3)n2)C1.
What is the InChIKey of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is VYOHNNKEIUPFIH-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-3-30-18-8-4-5-9-19(18)31-17-7-6-11-27(15-17)20-13-25-14-21(26-20)28-12-10-23(2,16-28)22(24)29/h4-5,8-9,13-14,17H,3,6-7,10-12,15-16H2,1-2H3,(H2,24,29)/t17-,23?/m1/s1.
What are the key properties of 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide?
1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156541117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).