N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide

C19H23N3O3 — CID 136526076

IUPACN-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-14(20-19(24)17-10-6-12-25-17)18(23)21-15-7-5-11-22(13-15)16-8-3-2-4-9-16/h2-4,6,8-10,12,14-15H,5,7,11,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyOCAPPFFOKPQQKF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.18
Rot. Bonds5

About N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide (PubChem CID 136526076) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
PubChem CID136526076
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-14(20-19(24)17-10-6-12-25-17)18(23)21-15-7-5-11-22(13-15)16-8-3-2-4-9-16/h2-4,6,8-10,12,14-15H,5,7,11,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyOCAPPFFOKPQQKF-UHFFFAOYSA-N
XLogP2.18
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide (CID 136526076) is N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide?
The InChIKey is OCAPPFFOKPQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(20-19(24)17-10-6-12-25-17)18(23)21-15-7-5-11-22(13-15)16-8-3-2-4-9-16/h2-4,6,8-10,12,14-15H,5,7,11,13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 136526076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).