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

C21H27N3O3 — CID 119557967

IUPACN-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCC1CCCNC1)c1ccco1
InChIInChI=1S/C21H27N3O3/c25-20(23-12-10-17-8-4-11-22-15-17)18(14-16-6-2-1-3-7-16)24-21(26)19-9-5-13-27-19/h1-3,5-7,9,13,17-18,22H,4,8,10-12,14-15H2,(H,23,25)(H,24,26)
InChIKeyHLPZCNSDOZEOBC-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.13
Rot. Bonds8

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

N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 119557967) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
PubChem CID119557967
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCC1CCCNC1)c1ccco1
InChIInChI=1S/C21H27N3O3/c25-20(23-12-10-17-8-4-11-22-15-17)18(14-16-6-2-1-3-7-16)24-21(26)19-9-5-13-27-19/h1-3,5-7,9,13,17-18,22H,4,8,10-12,14-15H2,(H,23,25)(H,24,26)
InChIKeyHLPZCNSDOZEOBC-UHFFFAOYSA-N
XLogP2.13
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride
CID 119462989
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[4-methylsulfanyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide;hydrochloride
CID 119556197
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide (CID 119557967) is N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCCC1CCCNC1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is HLPZCNSDOZEOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-20(23-12-10-17-8-4-11-22-15-17)18(14-16-6-2-1-3-7-16)24-21(26)19-9-5-13-27-19/h1-3,5-7,9,13,17-18,22H,4,8,10-12,14-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.13, 8 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-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119557967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).