1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid

C18H32N2O3 — CID 122010992

IUPAC1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCCC(NC(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)14-5-4-6-15(8-7-14)19-17(23)20-11-9-13(10-12-20)16(21)22/h13-15H,4-12H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyGKILTZNOGNEGBB-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.49
Rot. Bonds2

About 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid

1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122010992) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122010992
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCCC(NC(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)14-5-4-6-15(8-7-14)19-17(23)20-11-9-13(10-12-20)16(21)22/h13-15H,4-12H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyGKILTZNOGNEGBB-UHFFFAOYSA-N
XLogP3.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127982606
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
N-cycloheptylpiperidine-1-carboxamide
CID 54054704

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid (CID 122010992) is 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid is CC(C)(C)C1CCCC(NC(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is GKILTZNOGNEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,3)14-5-4-6-15(8-7-14)19-17(23)20-11-9-13(10-12-20)16(21)22/h13-15H,4-12H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 324.47 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122010992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).