3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid

C18H30N2O3 — CID 6466914

IUPAC3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
SMILESCC(C)N1CCC(NC(=O)C2C3CCC(CC3)C2C(=O)O)CC1
InChIInChI=1S/C18H30N2O3/c1-11(2)20-9-7-14(8-10-20)19-17(21)15-12-3-5-13(6-4-12)16(15)18(22)23/h11-16H,3-10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyRHJLCXDHXSRRHP-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.11
Rot. Bonds4

About 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid

3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid (PubChem CID 6466914) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
PubChem CID6466914
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
SMILESCC(C)N1CCC(NC(=O)C2C3CCC(CC3)C2C(=O)O)CC1
InChIInChI=1S/C18H30N2O3/c1-11(2)20-9-7-14(8-10-20)19-17(21)15-12-3-5-13(6-4-12)16(15)18(22)23/h11-16H,3-10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyRHJLCXDHXSRRHP-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid 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

N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
(1S,2S,3S,4R)-3-(cyclopropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11919471
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 43700528
N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42891784
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 81124488
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
4-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)oxolane-3-carboxamide
CID 66265010
2-oxo-N-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 139302184
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
The IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid (CID 6466914) is 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid.
What is the SMILES notation for 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
The canonical SMILES for 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid is CC(C)N1CCC(NC(=O)C2C3CCC(CC3)C2C(=O)O)CC1.
What is the InChIKey of 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
The InChIKey is RHJLCXDHXSRRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-11(2)20-9-7-14(8-10-20)19-17(21)15-12-3-5-13(6-4-12)16(15)18(22)23/h11-16H,3-10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid?
3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid has a molecular weight of 322.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid is sourced from PubChem (CID 6466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).