N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride

C18H22ClN3O3 — CID 119700778

IUPACN-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(CC1CCNCC1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21N3O3.ClH/c22-17(12-13-7-9-19-10-8-13)20-14-3-5-15(6-4-14)21-18(23)16-2-1-11-24-16;/h1-6,11,13,19H,7-10,12H2,(H,20,22)(H,21,23);1H
InChIKeyYUHREXSOBMSOKQ-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride

N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119700778) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119700778
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(CC1CCNCC1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21N3O3.ClH/c22-17(12-13-7-9-19-10-8-13)20-14-3-5-15(6-4-14)21-18(23)16-2-1-11-24-16;/h1-6,11,13,19H,7-10,12H2,(H,20,22)(H,21,23);1H
InChIKeyYUHREXSOBMSOKQ-UHFFFAOYSA-N
XLogP3.28
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 30783674
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CID 42014387
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311
N-(4-fluorophenyl)furan-2-carboxamide
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N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
N-(4-pentylphenyl)-2-piperidin-4-ylacetamide
CID 61247684
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride (CID 119700778) is N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride is Cl.O=C(CC1CCNCC1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is YUHREXSOBMSOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c22-17(12-13-7-9-19-10-8-13)20-14-3-5-15(6-4-14)21-18(23)16-2-1-11-24-16;/h1-6,11,13,19H,7-10,12H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride?
N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119700778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).