N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide

C22H30N2O4 — CID 18146151

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H30N2O4/c25-19(13-21-9-15-8-16(10-21)12-22(27,11-15)14-21)23-17-3-5-24(6-4-17)20(26)18-2-1-7-28-18/h1-2,7,15-17,27H,3-6,8-14H2,(H,23,25)
InChIKeyBZEDQMIAYDOVFY-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 18146151) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID18146151
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H30N2O4/c25-19(13-21-9-15-8-16(10-21)12-22(27,11-15)14-21)23-17-3-5-24(6-4-17)20(26)18-2-1-7-28-18/h1-2,7,15-17,27H,3-6,8-14H2,(H,23,25)
InChIKeyBZEDQMIAYDOVFY-UHFFFAOYSA-N
XLogP2.72
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,7R)-3-acetamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 25495003
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 98765247
N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932536
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
ethyl [4-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548603

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide (CID 18146151) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide is O=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is BZEDQMIAYDOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-19(13-21-9-15-8-16(10-21)12-22(27,11-15)14-21)23-17-3-5-24(6-4-17)20(26)18-2-1-7-28-18/h1-2,7,15-17,27H,3-6,8-14H2,(H,23,25).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 386.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 18146151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).