N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide

C20H26N4O3 — CID 97276292

IUPACN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)c1
InChIInChI=1S/C20H26N4O3/c1-27-18-6-2-4-16(10-18)11-21-19(25)8-7-15-5-3-9-24(14-15)20(26)17-12-22-23-13-17/h2,4,6,10,12-13,15H,3,5,7-9,11,14H2,1H3,(H,21,25)(H,22,23)/t15-/m1/s1
InChIKeyYTUJPYFHLIJCFK-OAHLLOKOSA-N
MW370.45 g/mol
LogP2.37
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide (PubChem CID 97276292) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
PubChem CID97276292
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)c1
InChIInChI=1S/C20H26N4O3/c1-27-18-6-2-4-16(10-18)11-21-19(25)8-7-15-5-3-9-24(14-15)20(26)17-12-22-23-13-17/h2,4,6,10,12-13,15H,3,5,7-9,11,14H2,1H3,(H,21,25)(H,22,23)/t15-/m1/s1
InChIKeyYTUJPYFHLIJCFK-OAHLLOKOSA-N
XLogP2.37
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
CID 72935785
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 42515547
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
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-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
CID 42566889
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 42511683
N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45221235
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 26412386

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide (CID 97276292) is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is YTUJPYFHLIJCFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-18-6-2-4-16(10-18)11-21-19(25)8-7-15-5-3-9-24(14-15)20(26)17-12-22-23-13-17/h2,4,6,10,12-13,15H,3,5,7-9,11,14H2,1H3,(H,21,25)(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 97276292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).