3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide

C23H32N2O2 — CID 130269489

IUPAC3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
SMILESCOc1ccc(C23CC4CC(CC(C(=O)NC5CCNCC5)(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O2/c1-27-20-4-2-18(3-5-20)22-11-16-10-17(12-22)14-23(13-16,15-22)21(26)25-19-6-8-24-9-7-19/h2-5,16-17,19,24H,6-15H2,1H3,(H,25,26)
InChIKeyGOHOOKMVYXUDCI-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.40
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide

3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide (PubChem CID 130269489) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
PubChem CID130269489
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
SMILESCOc1ccc(C23CC4CC(CC(C(=O)NC5CCNCC5)(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O2/c1-27-20-4-2-18(3-5-20)22-11-16-10-17(12-22)14-23(13-16,15-22)21(26)25-19-6-8-24-9-7-19/h2-5,16-17,19,24H,6-15H2,1H3,(H,25,26)
InChIKeyGOHOOKMVYXUDCI-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
CID 130269419
(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxylic acid
CID 98044309
N-(2-cyclopropyl-2-oxoethyl)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 127816461
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
(5R,7R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98139811
(5S,7R)-3-(4-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]adamantane-1-carboxamide
CID 34835207
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide
CID 24536119
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 24536593
4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 146623442

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide (CID 130269489) is 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide is COc1ccc(C23CC4CC(CC(C(=O)NC5CCNCC5)(C4)C2)C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The InChIKey is GOHOOKMVYXUDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-27-20-4-2-18(3-5-20)22-11-16-10-17(12-22)14-23(13-16,15-22)21(26)25-19-6-8-24-9-7-19/h2-5,16-17,19,24H,6-15H2,1H3,(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide?
3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide is sourced from PubChem (CID 130269489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).