1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid

C19H29NO3 — CID 23009714

IUPAC1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCC(C(=O)O)CC1)(C3)C2
InChIInChI=1S/C19H29NO3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(23)20-5-3-14(4-6-20)15(21)22/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyKUSBLXPLYAUINP-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.31
Rot. Bonds2

About 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid

1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 23009714) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID23009714
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCC(C(=O)O)CC1)(C3)C2
InChIInChI=1S/C19H29NO3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(23)20-5-3-14(4-6-20)15(21)22/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyKUSBLXPLYAUINP-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid (CID 23009714) is 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid is CC12CC3CC(C)(C1)CC(C(=O)N1CCC(C(=O)O)CC1)(C3)C2.
What is the InChIKey of 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is KUSBLXPLYAUINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(23)20-5-3-14(4-6-20)15(21)22/h13-14H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid?
1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 319.45 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 23009714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).