1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C23H31N5O2 — CID 166616619

IUPAC1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1-c1cnccn1
InChIInChI=1S/C23H31N5O2/c1-30-21-6-5-18(15-19(21)20-16-25-9-10-26-20)17-27-13-7-23(8-14-27,22(24)29)28-11-3-2-4-12-28/h5-6,9-10,15-16H,2-4,7-8,11-14,17H2,1H3,(H2,24,29)
InChIKeyOMZRLROCCQCKIQ-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.46
Rot. Bonds6

About 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 166616619) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID166616619
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1-c1cnccn1
InChIInChI=1S/C23H31N5O2/c1-30-21-6-5-18(15-19(21)20-16-25-9-10-26-20)17-27-13-7-23(8-14-27,22(24)29)28-11-3-2-4-12-28/h5-6,9-10,15-16H,2-4,7-8,11-14,17H2,1H3,(H2,24,29)
InChIKeyOMZRLROCCQCKIQ-UHFFFAOYSA-N
XLogP2.46
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 166616619) is 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide is COc1ccc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1-c1cnccn1.
What is the InChIKey of 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is OMZRLROCCQCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-30-21-6-5-18(15-19(21)20-16-25-9-10-26-20)17-27-13-7-23(8-14-27,22(24)29)28-11-3-2-4-12-28/h5-6,9-10,15-16H,2-4,7-8,11-14,17H2,1H3,(H2,24,29).
What are the key properties of 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 166616619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).