N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride

C19H29ClN4O3 — CID 120981373

IUPACN-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(O)cc1)C1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C19H28N4O3.ClH/c24-17-3-1-16(2-4-17)21-19(26)15-5-10-22(11-6-15)12-7-18(25)23-13-8-20-9-14-23;/h1-4,15,20,24H,5-14H2,(H,21,26);1H
InChIKeyZYYURWFYAVQAEH-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.29
Rot. Bonds5

About N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride

N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120981373) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120981373
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC NameN-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(O)cc1)C1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C19H28N4O3.ClH/c24-17-3-1-16(2-4-17)21-19(26)15-5-10-22(11-6-15)12-7-18(25)23-13-8-20-9-14-23;/h1-4,15,20,24H,5-14H2,(H,21,26);1H
InChIKeyZYYURWFYAVQAEH-UHFFFAOYSA-N
XLogP1.29
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981028
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119418264
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 18783777
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
N-(4-hydroxyphenyl)-1-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 91563948
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride (CID 120981373) is N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(O)cc1)C1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZYYURWFYAVQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c24-17-3-1-16(2-4-17)21-19(26)15-5-10-22(11-6-15)12-7-18(25)23-13-8-20-9-14-23;/h1-4,15,20,24H,5-14H2,(H,21,26);1H.
What are the key properties of N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120981373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).