N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride

C20H26ClN3O3 — CID 119462989

IUPACN-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C(=O)NCC1CCCNC1)c1ccco1
InChIInChI=1S/C20H25N3O3.ClH/c24-19(22-14-16-8-4-10-21-13-16)17(12-15-6-2-1-3-7-15)23-20(25)18-9-5-11-26-18;/h1-3,5-7,9,11,16-17,21H,4,8,10,12-14H2,(H,22,24)(H,23,25);1H
InChIKeyZOXGJRIKMNHHDK-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.16
Rot. Bonds7

About N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride

N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119462989) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119462989
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C(=O)NCC1CCCNC1)c1ccco1
InChIInChI=1S/C20H25N3O3.ClH/c24-19(22-14-16-8-4-10-21-13-16)17(12-15-6-2-1-3-7-15)23-20(25)18-9-5-11-26-18;/h1-3,5-7,9,11,16-17,21H,4,8,10,12-14H2,(H,22,24)(H,23,25);1H
InChIKeyZOXGJRIKMNHHDK-UHFFFAOYSA-N
XLogP2.16
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 119557967
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CID 119388874
N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 47089613
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
4-methylsulfanyl-2-[(2-phenylacetyl)amino]-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119463373
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride (CID 119462989) is N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride is Cl.O=C(NC(Cc1ccccc1)C(=O)NCC1CCCNC1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is ZOXGJRIKMNHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c24-19(22-14-16-8-4-10-21-13-16)17(12-15-6-2-1-3-7-15)23-20(25)18-9-5-11-26-18;/h1-3,5-7,9,11,16-17,21H,4,8,10,12-14H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride?
N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119462989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).