N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide

C21H26N4O3 — CID 97282425

IUPACN-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnccn3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-28-18-6-2-4-17(12-18)13-24-20(26)8-7-16-5-3-11-25(15-16)21(27)19-14-22-9-10-23-19/h2,4,6,9-10,12,14,16H,3,5,7-8,11,13,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyIWZAHWGYUNVLJT-INIZCTEOSA-N
MW382.46 g/mol
LogP2.43
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide (PubChem CID 97282425) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
PubChem CID97282425
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnccn3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-28-18-6-2-4-17(12-18)13-24-20(26)8-7-16-5-3-11-25(15-16)21(27)19-14-22-9-10-23-19/h2,4,6,9-10,12,14,16H,3,5,7-8,11,13,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyIWZAHWGYUNVLJT-INIZCTEOSA-N
XLogP2.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
CID 42566889
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
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-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124950186
[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110099337

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide (CID 97282425) is N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnccn3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is IWZAHWGYUNVLJT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-18-6-2-4-17(12-18)13-24-20(26)8-7-16-5-3-11-25(15-16)21(27)19-14-22-9-10-23-19/h2,4,6,9-10,12,14,16H,3,5,7-8,11,13,15H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 2.43, 7 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-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 97282425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).