N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide

C18H23N3O2 — CID 118895801

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
SMILESNN(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c19-21(18(22)17-7-4-14-23-17)16-9-12-20(13-10-16)11-8-15-5-2-1-3-6-15/h1-7,14,16H,8-13,19H2
InChIKeyZHSKSTRWEFOYHB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.30
Rot. Bonds5

About N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide

N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide (PubChem CID 118895801) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
PubChem CID118895801
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
SMILESNN(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c19-21(18(22)17-7-4-14-23-17)16-9-12-20(13-10-16)11-8-15-5-2-1-3-6-15/h1-7,14,16H,8-13,19H2
InChIKeyZHSKSTRWEFOYHB-UHFFFAOYSA-N
XLogP2.30
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
CID 24731871
N-[1-(2-phenylethyl)piperidin-4-yl]-N-quinolin-3-ylfuran-2-carboxamide
CID 14330418
methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate
CID 11955471
N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 175263076
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide (CID 118895801) is N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide is NN(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide?
The InChIKey is ZHSKSTRWEFOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-21(18(22)17-7-4-14-23-17)16-9-12-20(13-10-16)11-8-15-5-2-1-3-6-15/h1-7,14,16H,8-13,19H2.
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide?
N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide has a molecular weight of 313.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 118895801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).