N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

C24H34N2O — CID 130269278

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)CC1
InChIInChI=1S/C24H34N2O/c1-25-10-8-21(9-11-25)26(2)22(27)24-15-18-12-19(16-24)14-23(13-18,17-24)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3
InChIKeyNWSNQNSSFKPUNU-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.08
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide (PubChem CID 130269278) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
PubChem CID130269278
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)CC1
InChIInChI=1S/C24H34N2O/c1-25-10-8-21(9-11-25)26(2)22(27)24-15-18-12-19(16-24)14-23(13-18,17-24)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3
InChIKeyNWSNQNSSFKPUNU-UHFFFAOYSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide (CID 130269278) is N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide is CN1CCC(N(C)C(=O)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
The InChIKey is NWSNQNSSFKPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-25-10-8-21(9-11-25)26(2)22(27)24-15-18-12-19(16-24)14-23(13-18,17-24)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 130269278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).