[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone

C25H36N2O — CID 162526040

IUPAC[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone
SMILESCC1C2CC3(C(=O)N4CC[C@H](N)C(C)(C)C4)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C25H36N2O/c1-17-18-11-24(20-7-5-4-6-8-20)12-19(17)14-25(13-18,15-24)22(28)27-10-9-21(26)23(2,3)16-27/h4-8,17-19,21H,9-16,26H2,1-3H3/t17?,18?,19?,21-,24?,25?/m0/s1
InChIKeyAQEVJXFRFQXFTI-XKGQFBMRSA-N
MW380.58 g/mol
LogP4.36
Rot. Bonds2

About [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone

[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone (PubChem CID 162526040) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone.

Molecular Properties

Compound Name[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone
PubChem CID162526040
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone
SMILESCC1C2CC3(C(=O)N4CC[C@H](N)C(C)(C)C4)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C25H36N2O/c1-17-18-11-24(20-7-5-4-6-8-20)12-19(17)14-25(13-18,15-24)22(28)27-10-9-21(26)23(2,3)16-27/h4-8,17-19,21H,9-16,26H2,1-3H3/t17?,18?,19?,21-,24?,25?/m0/s1
InChIKeyAQEVJXFRFQXFTI-XKGQFBMRSA-N
XLogP4.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[3-phenyl-6-(2-phenylethyl)-1-adamantyl]methanone
CID 162525540
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(2-methoxyethyl)-3-phenyl-1-adamantyl]methanone
CID 162525908
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(2-benzyl-7-phenyl-2-azatricyclo[3.3.1.13,7]decan-5-yl)methanone
CID 162525834
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(2-methyliminoethylidene)-3-phenyl-1-adamantyl]methanone
CID 175635779
2-[5-[(4S)-4-amino-3,3-dimethylpiperidine-1-carbonyl]-7-phenyl-2-adamantylidene]acetonitrile
CID 162526129
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(cyclopropylmethyl)-3-phenyl-1-adamantyl]methanethione
CID 162525288
(3-phenyl-6-prop-2-ynylidene-1-adamantyl)-[(4S)-3,3,4-trimethylpiperidin-1-yl]methanone
CID 175623619
(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510430
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-6-propyl-1-adamantyl)methanethione
CID 171762435
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-benzyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanethione
CID 166908949
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[7-(chloromethyl)-3-methyl-5-phenyl-2-bicyclo[3.3.1]nonanyl]methanethione
CID 166985081

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone?
The IUPAC name of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone (CID 162526040) is [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone.
What is the SMILES notation for [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone?
The canonical SMILES for [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone is CC1C2CC3(C(=O)N4CC[C@H](N)C(C)(C)C4)CC1CC(c1ccccc1)(C2)C3.
What is the InChIKey of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone?
The InChIKey is AQEVJXFRFQXFTI-XKGQFBMRSA-N. The full InChI is InChI=1S/C25H36N2O/c1-17-18-11-24(20-7-5-4-6-8-20)12-19(17)14-25(13-18,15-24)22(28)27-10-9-21(26)23(2,3)16-27/h4-8,17-19,21H,9-16,26H2,1-3H3/t17?,18?,19?,21-,24?,25?/m0/s1.
What are the key properties of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone?
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone has a molecular weight of 380.58 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone is sourced from PubChem (CID 162526040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).