N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide

C29H36N2O2 — CID 118063091

IUPACN-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide
SMILESCN1CCC(Oc2cccc(-c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2)CC1
InChIInChI=1S/C29H36N2O2/c1-31-10-8-26(9-11-31)33-27-7-3-5-24(16-27)23-4-2-6-25(15-23)30-28(32)29-17-20-12-21(18-29)14-22(13-20)19-29/h2-7,15-16,20-22,26H,8-14,17-19H2,1H3,(H,30,32)
InChIKeyOUTLGHUCEYTXBX-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.98
Rot. Bonds5

About N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide

N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide (PubChem CID 118063091) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide
PubChem CID118063091
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide
SMILESCN1CCC(Oc2cccc(-c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2)CC1
InChIInChI=1S/C29H36N2O2/c1-31-10-8-26(9-11-31)33-27-7-3-5-24(16-27)23-4-2-6-25(15-23)30-28(32)29-17-20-12-21(18-29)14-22(13-20)19-29/h2-7,15-16,20-22,26H,8-14,17-19H2,1H3,(H,30,32)
InChIKeyOUTLGHUCEYTXBX-UHFFFAOYSA-N
XLogP5.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
N-(3-hexoxyphenyl)adamantane-1-carboxamide
CID 54787334
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
CID 69071575
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide
CID 144842995
N-[3-(dicyclohexylamino)phenyl]adamantane-1-carboxamide
CID 171576970
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen
CID 144843031
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N-(3-cyanophenyl)adamantane-1-carboxamide
CID 7788359
1-[3-(3-methoxyphenyl)phenyl]-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea
CID 118064397

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide (CID 118063091) is N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide is CN1CCC(Oc2cccc(-c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2)CC1.
What is the InChIKey of N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide?
The InChIKey is OUTLGHUCEYTXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-31-10-8-26(9-11-31)33-27-7-3-5-24(16-27)23-4-2-6-25(15-23)30-28(32)29-17-20-12-21(18-29)14-22(13-20)19-29/h2-7,15-16,20-22,26H,8-14,17-19H2,1H3,(H,30,32).
What are the key properties of N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide?
N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 118063091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).