2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride

C20H29ClN4O2 — CID 171708881

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride
SMILESCCc1c(C)nn(CC(=O)N[C@]2(c3ccccc3)CCNC[C@H]2O)c1C.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-4-17-14(2)23-24(15(17)3)13-19(26)22-20(10-11-21-12-18(20)25)16-8-6-5-7-9-16;/h5-9,18,21,25H,4,10-13H2,1-3H3,(H,22,26);1H/t18-,20+;/m1./s1
InChIKeyDYTADHKIMZLWHD-VDWUQFQWSA-N
MW392.93 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride (PubChem CID 171708881) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride
PubChem CID171708881
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride
SMILESCCc1c(C)nn(CC(=O)N[C@]2(c3ccccc3)CCNC[C@H]2O)c1C.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-4-17-14(2)23-24(15(17)3)13-19(26)22-20(10-11-21-12-18(20)25)16-8-6-5-7-9-16;/h5-9,18,21,25H,4,10-13H2,1-3H3,(H,22,26);1H/t18-,20+;/m1./s1
InChIKeyDYTADHKIMZLWHD-VDWUQFQWSA-N
XLogP1.85
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 171710361
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride
CID 171708084
acetic acid;N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methylpyrazol-3-yl)propanamide
CID 171710618
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 171712925
N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 171708269
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-5-pyridin-3-ylpentanamide;dihydrochloride
CID 171330316
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
CID 171712960
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122558708
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-2-pyrazol-1-ylbenzamide;hydrochloride
CID 171710622
acetic acid;N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 171330415
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride (CID 171708881) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride is CCc1c(C)nn(CC(=O)N[C@]2(c3ccccc3)CCNC[C@H]2O)c1C.Cl.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
The InChIKey is DYTADHKIMZLWHD-VDWUQFQWSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-4-17-14(2)23-24(15(17)3)13-19(26)22-20(10-11-21-12-18(20)25)16-8-6-5-7-9-16;/h5-9,18,21,25H,4,10-13H2,1-3H3,(H,22,26);1H/t18-,20+;/m1./s1.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 171708881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).