N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C27H30N4O5 — CID 55966537

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C27H30N4O5/c32-25(14-17-36-23-7-2-1-3-8-23)31-15-4-6-20(19-31)26(33)29-21-10-12-22(13-11-21)30-27(34)28-18-24-9-5-16-35-24/h1-3,5,7-13,16,20H,4,6,14-15,17-19H2,(H,29,33)(H2,28,30,34)
InChIKeyAXQDYYVXKRDKFT-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.25
Rot. Bonds9

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55966537) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55966537
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C27H30N4O5/c32-25(14-17-36-23-7-2-1-3-8-23)31-15-4-6-20(19-31)26(33)29-21-10-12-22(13-11-21)30-27(34)28-18-24-9-5-16-35-24/h1-3,5,7-13,16,20H,4,6,14-15,17-19H2,(H,29,33)(H2,28,30,34)
InChIKeyAXQDYYVXKRDKFT-UHFFFAOYSA-N
XLogP4.25
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55966662
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55966537) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is AXQDYYVXKRDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c32-25(14-17-36-23-7-2-1-3-8-23)31-15-4-6-20(19-31)26(33)29-21-10-12-22(13-11-21)30-27(34)28-18-24-9-5-16-35-24/h1-3,5,7-13,16,20H,4,6,14-15,17-19H2,(H,29,33)(H2,28,30,34).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55966537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).