N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C23H29N3O3 — CID 166257021

IUPACN-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC(NC2CCC2)CC1)c1ccco1
InChIInChI=1S/C23H29N3O3/c27-22(21-10-5-15-29-21)25-20(16-17-6-2-1-3-7-17)23(28)26-13-11-19(12-14-26)24-18-8-4-9-18/h1-3,5-7,10,15,18-20,24H,4,8-9,11-14,16H2,(H,25,27)
InChIKeyXXLZGFONDPFDCA-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.75
Rot. Bonds7

About N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 166257021) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID166257021
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC(NC2CCC2)CC1)c1ccco1
InChIInChI=1S/C23H29N3O3/c27-22(21-10-5-15-29-21)25-20(16-17-6-2-1-3-7-17)23(28)26-13-11-19(12-14-26)24-18-8-4-9-18/h1-3,5-7,10,15,18-20,24H,4,8-9,11-14,16H2,(H,25,27)
InChIKeyXXLZGFONDPFDCA-UHFFFAOYSA-N
XLogP2.75
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51728586
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112836615
N-[(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41210107
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41138290
N-[(2R)-1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 38208565
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7858566
N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55918145

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 166257021) is N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CCC(NC2CCC2)CC1)c1ccco1.
What is the InChIKey of N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is XXLZGFONDPFDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(21-10-5-15-29-21)25-20(16-17-6-2-1-3-7-17)23(28)26-13-11-19(12-14-26)24-18-8-4-9-18/h1-3,5-7,10,15,18-20,24H,4,8-9,11-14,16H2,(H,25,27).
What are the key properties of N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 166257021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).