N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide

C24H31FN2O3 — CID 98138286

IUPACN-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
SMILESCC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCC(Oc4cccc(F)c4)CC1)(C3)C2
InChIInChI=1S/C24H31FN2O3/c1-16(28)26-24-13-17-9-18(14-24)12-23(11-17,15-24)22(29)27-7-5-20(6-8-27)30-21-4-2-3-19(25)10-21/h2-4,10,17-18,20H,5-9,11-15H2,1H3,(H,26,28)/t17-,18-,23?,24?/m1/s1
InChIKeyUVEYVGQUEYANTP-RDNZODCXSA-N
MW414.52 g/mol
LogP3.67
Rot. Bonds4

About N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide

N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide (PubChem CID 98138286) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
PubChem CID98138286
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
SMILESCC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCC(Oc4cccc(F)c4)CC1)(C3)C2
InChIInChI=1S/C24H31FN2O3/c1-16(28)26-24-13-17-9-18(14-24)12-23(11-17,15-24)22(29)27-7-5-20(6-8-27)30-21-4-2-3-19(25)10-21/h2-4,10,17-18,20H,5-9,11-15H2,1H3,(H,26,28)/t17-,18-,23?,24?/m1/s1
InChIKeyUVEYVGQUEYANTP-RDNZODCXSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 51589067
methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
CID 10905377
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628983
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
(5S,7R)-3-acetamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 25495003
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 138057193

Frequently Asked Questions

What is the IUPAC name of N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide?
The IUPAC name of N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide (CID 98138286) is N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide.
What is the SMILES notation for N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide?
The canonical SMILES for N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide is CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCC(Oc4cccc(F)c4)CC1)(C3)C2.
What is the InChIKey of N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide?
The InChIKey is UVEYVGQUEYANTP-RDNZODCXSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-16(28)26-24-13-17-9-18(14-24)12-23(11-17,15-24)22(29)27-7-5-20(6-8-27)30-21-4-2-3-19(25)10-21/h2-4,10,17-18,20H,5-9,11-15H2,1H3,(H,26,28)/t17-,18-,23?,24?/m1/s1.
What are the key properties of N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide?
N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide has a molecular weight of 414.52 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide is sourced from PubChem (CID 98138286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).