N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C20H29N3O4 — CID 51964853

IUPACN-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H29N3O4/c1-14(21-19(25)16-9-12-27-13-16)18(24)22-17-7-10-23(11-8-17)20(26)15-5-3-2-4-6-15/h9,12-15,17H,2-8,10-11H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyCSYGVYKYJDZZKA-CQSZACIVSA-N
MW375.47 g/mol
LogP2.09
Rot. Bonds5

About N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51964853) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51964853
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H29N3O4/c1-14(21-19(25)16-9-12-27-13-16)18(24)22-17-7-10-23(11-8-17)20(26)15-5-3-2-4-6-15/h9,12-15,17H,2-8,10-11H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyCSYGVYKYJDZZKA-CQSZACIVSA-N
XLogP2.09
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
CID 51965104
N-[1-[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 95905163
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55691057
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51964853) is N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is CSYGVYKYJDZZKA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(21-19(25)16-9-12-27-13-16)18(24)22-17-7-10-23(11-8-17)20(26)15-5-3-2-4-6-15/h9,12-15,17H,2-8,10-11H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51964853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).