N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide

C27H45N3O4 — CID 69328033

IUPACN-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
SMILESCC1CCC(N(C(=O)c2ccco2)C2CCN(C(C)C3CCCCC3C(CO)CO)CC2)NC1
InChIInChI=1S/C27H45N3O4/c1-19-9-10-26(28-16-19)30(27(33)25-8-5-15-34-25)22-11-13-29(14-12-22)20(2)23-6-3-4-7-24(23)21(17-31)18-32/h5,8,15,19-24,26,28,31-32H,3-4,6-7,9-14,16-18H2,1-2H3
InChIKeyGRVKLGLCPSBEJK-UHFFFAOYSA-N
MW475.67 g/mol
LogP3.33
Rot. Bonds8

About N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide

N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide (PubChem CID 69328033) has the molecular formula C27H45N3O4 and a molecular weight of 475.67 g/mol. Its IUPAC name is N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
PubChem CID69328033
Molecular FormulaC27H45N3O4
Molecular Weight475.67 g/mol
Exact Mass475.34
IUPAC NameN-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
SMILESCC1CCC(N(C(=O)c2ccco2)C2CCN(C(C)C3CCCCC3C(CO)CO)CC2)NC1
InChIInChI=1S/C27H45N3O4/c1-19-9-10-26(28-16-19)30(27(33)25-8-5-15-34-25)22-11-13-29(14-12-22)20(2)23-6-3-4-7-24(23)21(17-31)18-32/h5,8,15,19-24,26,28,31-32H,3-4,6-7,9-14,16-18H2,1-2H3
InChIKeyGRVKLGLCPSBEJK-UHFFFAOYSA-N
XLogP3.33
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.67
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
CID 69146217
N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
CID 69146660
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
N-cyclohexyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 54942763
2-[cyclopentyl(ethyl)amino]-1-(furan-2-yl)ethanone
CID 43796327
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide (CID 69328033) is N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide is CC1CCC(N(C(=O)c2ccco2)C2CCN(C(C)C3CCCCC3C(CO)CO)CC2)NC1.
What is the InChIKey of N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The InChIKey is GRVKLGLCPSBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N3O4/c1-19-9-10-26(28-16-19)30(27(33)25-8-5-15-34-25)22-11-13-29(14-12-22)20(2)23-6-3-4-7-24(23)21(17-31)18-32/h5,8,15,19-24,26,28,31-32H,3-4,6-7,9-14,16-18H2,1-2H3.
What are the key properties of N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide has a molecular weight of 475.67 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 69328033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).