N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide

C23H30N4O3 — CID 42566889

IUPACN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)c1
InChIInChI=1S/C23H30N4O3/c1-30-21-6-2-4-19(14-21)15-26-22(28)9-7-18-5-3-13-27(17-18)23(29)10-8-20-16-24-11-12-25-20/h2,4,6,11-12,14,16,18H,3,5,7-10,13,15,17H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyOWNRROXGNQUHAY-GOSISDBHSA-N
MW410.52 g/mol
LogP2.75
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide (PubChem CID 42566889) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
PubChem CID42566889
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)c1
InChIInChI=1S/C23H30N4O3/c1-30-21-6-2-4-19(14-21)15-26-22(28)9-7-18-5-3-13-27(17-18)23(29)10-8-20-16-24-11-12-25-20/h2,4,6,11-12,14,16,18H,3,5,7-10,13,15,17H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyOWNRROXGNQUHAY-GOSISDBHSA-N
XLogP2.75
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 25279991
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 42515547
N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
CID 72935785
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
methyl 4-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42558151
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide (CID 42566889) is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide?
The InChIKey is OWNRROXGNQUHAY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-30-21-6-2-4-19(14-21)15-26-22(28)9-7-18-5-3-13-27(17-18)23(29)10-8-20-16-24-11-12-25-20/h2,4,6,11-12,14,16,18H,3,5,7-10,13,15,17H2,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42566889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).