N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide

C18H21N3O3 — CID 650195

IUPACN-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C18H21N3O3/c22-17(16-7-4-12-24-16)20-15-8-10-21(11-9-15)18(23)19-13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,23)(H,20,22)
InChIKeyDBAIIBWKKGUUBX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.38
Rot. Bonds4

About N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide

N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide (PubChem CID 650195) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide
PubChem CID650195
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C18H21N3O3/c22-17(16-7-4-12-24-16)20-15-8-10-21(11-9-15)18(23)19-13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,23)(H,20,22)
InChIKeyDBAIIBWKKGUUBX-UHFFFAOYSA-N
XLogP2.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 550206
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CID 2777
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CID 762331
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CID 42853213
CID 42853213
CID 13653606
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CID 236716
CID 236716
CID 18116
CID 18116
CID 347531
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CID 162515877
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CID 118409083
CID 118409083
CID 118409145
CID 118409145

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide (CID 650195) is N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1.
What is the InChIKey of N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The InChIKey is DBAIIBWKKGUUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(16-7-4-12-24-16)20-15-8-10-21(11-9-15)18(23)19-13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,23)(H,20,22).
What are the key properties of N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(furan-2-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 650195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).