1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid

C18H22N2O3 — CID 122007036

IUPAC1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCC2C3Cc4ccccc4C23)C1
InChIInChI=1S/C18H22N2O3/c21-17(22)12-5-3-7-20(10-12)18(23)19-9-15-14-8-11-4-1-2-6-13(11)16(14)15/h1-2,4,6,12,14-16H,3,5,7-10H2,(H,19,23)(H,21,22)
InChIKeyGBJZLZLBQACJHJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds3

About 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid

1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122007036) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122007036
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCC2C3Cc4ccccc4C23)C1
InChIInChI=1S/C18H22N2O3/c21-17(22)12-5-3-7-20(10-12)18(23)19-9-15-14-8-11-4-1-2-6-13(11)16(14)15/h1-2,4,6,12,14-16H,3,5,7-10H2,(H,19,23)(H,21,22)
InChIKeyGBJZLZLBQACJHJ-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)morpholine-2,4-dicarboxamide
CID 136516118
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 166226827
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 129431114
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802772

Frequently Asked Questions

What is the IUPAC name of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid (CID 122007036) is 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCC2C3Cc4ccccc4C23)C1.
What is the InChIKey of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is GBJZLZLBQACJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(22)12-5-3-7-20(10-12)18(23)19-9-15-14-8-11-4-1-2-6-13(11)16(14)15/h1-2,4,6,12,14-16H,3,5,7-10H2,(H,19,23)(H,21,22).
What are the key properties of 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122007036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).