(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide

C25H36N2O — CID 137436163

IUPAC(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC1(C)CNCCC1NC(=O)C12CC3C[C@@](C)(C1)C[C@](c1ccccc1)(C3)C2
InChIInChI=1S/C25H36N2O/c1-22(2)17-26-10-9-20(22)27-21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20,26H,9-17H2,1-3H3,(H,27,28)/t18?,20?,23-,24-,25?/m1/s1
InChIKeyZUTFBAMVBHCZQN-QFHIBMSHSA-N
MW380.58 g/mol
LogP4.42
Rot. Bonds3

About (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide

(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide (PubChem CID 137436163) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
PubChem CID137436163
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC1(C)CNCCC1NC(=O)C12CC3C[C@@](C)(C1)C[C@](c1ccccc1)(C3)C2
InChIInChI=1S/C25H36N2O/c1-22(2)17-26-10-9-20(22)27-21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20,26H,9-17H2,1-3H3,(H,27,28)/t18?,20?,23-,24-,25?/m1/s1
InChIKeyZUTFBAMVBHCZQN-QFHIBMSHSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide (CID 137436163) is (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide is CC1(C)CNCCC1NC(=O)C12CC3C[C@@](C)(C1)C[C@](c1ccccc1)(C3)C2.
What is the InChIKey of (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
The InChIKey is ZUTFBAMVBHCZQN-QFHIBMSHSA-N. The full InChI is InChI=1S/C25H36N2O/c1-22(2)17-26-10-9-20(22)27-21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20,26H,9-17H2,1-3H3,(H,27,28)/t18?,20?,23-,24-,25?/m1/s1.
What are the key properties of (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide has a molecular weight of 380.58 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 137436163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).