N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C19H26N4O2 — CID 95760381

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-25-17-6-2-4-15(12-17)7-9-20-19(24)14-23-11-3-5-16(13-23)18-8-10-21-22-18/h2,4,6,8,10,12,16H,3,5,7,9,11,13-14H2,1H3,(H,20,24)(H,21,22)/t16-/m0/s1
InChIKeyXKCQCHGPLXGRFW-INIZCTEOSA-N
MW342.44 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 95760381) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID95760381
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-25-17-6-2-4-15(12-17)7-9-20-19(24)14-23-11-3-5-16(13-23)18-8-10-21-22-18/h2,4,6,8,10,12,16H,3,5,7,9,11,13-14H2,1H3,(H,20,24)(H,21,22)/t16-/m0/s1
InChIKeyXKCQCHGPLXGRFW-INIZCTEOSA-N
XLogP1.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 91841682
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 166183669
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768673
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916676
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760359
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 138015038

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 95760381) is N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is COc1cccc(CCNC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is XKCQCHGPLXGRFW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-17-6-2-4-15(12-17)7-9-20-19(24)14-23-11-3-5-16(13-23)18-8-10-21-22-18/h2,4,6,8,10,12,16H,3,5,7,9,11,13-14H2,1H3,(H,20,24)(H,21,22)/t16-/m0/s1.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95760381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).