N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride

C18H25ClN4O2 — CID 171708084

IUPACN-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCn1cccn1)N[C@]1(c2ccccc2)CCNC[C@H]1O
InChIInChI=1S/C18H24N4O2.ClH/c23-16-14-19-11-9-18(16,15-6-2-1-3-7-15)21-17(24)8-4-12-22-13-5-10-20-22;/h1-3,5-7,10,13,16,19,23H,4,8-9,11-12,14H2,(H,21,24);1H/t16-,18+;/m1./s1
InChIKeyCRJGYCVIGKRNSQ-CLRXKPRGSA-N
MW364.88 g/mol
LogP1.45
Rot. Bonds6

About N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride

N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride (PubChem CID 171708084) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride
PubChem CID171708084
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCn1cccn1)N[C@]1(c2ccccc2)CCNC[C@H]1O
InChIInChI=1S/C18H24N4O2.ClH/c23-16-14-19-11-9-18(16,15-6-2-1-3-7-15)21-17(24)8-4-12-22-13-5-10-20-22;/h1-3,5-7,10,13,16,19,23H,4,8-9,11-12,14H2,(H,21,24);1H/t16-,18+;/m1./s1
InChIKeyCRJGYCVIGKRNSQ-CLRXKPRGSA-N
XLogP1.45
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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]-5-pyridin-3-ylpentanamide;dihydrochloride
CID 171330316
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]-2-pyrazol-1-ylbenzamide;hydrochloride
CID 171710622
1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
CID 171708235
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 171712925
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 171708881
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
CID 171712960
methyl 2-[[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]carbamoyl]benzoate;hydrochloride
CID 171710620
acetic acid;N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 171330415
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride (CID 171708084) is N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride is Cl.O=C(CCCn1cccn1)N[C@]1(c2ccccc2)CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride?
The InChIKey is CRJGYCVIGKRNSQ-CLRXKPRGSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c23-16-14-19-11-9-18(16,15-6-2-1-3-7-15)21-17(24)8-4-12-22-13-5-10-20-22;/h1-3,5-7,10,13,16,19,23H,4,8-9,11-12,14H2,(H,21,24);1H/t16-,18+;/m1./s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride?
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride is sourced from PubChem (CID 171708084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).