1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane

C16H26N2O3 — CID 142171532

IUPAC1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane
SMILESCC.NC1=CCCCC(C(=O)N2CCCCC2C(=O)O)=C1
InChIInChI=1S/C14H20N2O3.C2H6/c15-11-6-2-1-5-10(9-11)13(17)16-8-4-3-7-12(16)14(18)19;1-2/h6,9,12H,1-5,7-8,15H2,(H,18,19);1-2H3
InChIKeyOZNFSDKNAVUCIT-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane

1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane (PubChem CID 142171532) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane
PubChem CID142171532
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane
SMILESCC.NC1=CCCCC(C(=O)N2CCCCC2C(=O)O)=C1
InChIInChI=1S/C14H20N2O3.C2H6/c15-11-6-2-1-5-10(9-11)13(17)16-8-4-3-7-12(16)14(18)19;1-2/h6,9,12H,1-5,7-8,15H2,(H,18,19);1-2H3
InChIKeyOZNFSDKNAVUCIT-UHFFFAOYSA-N
XLogP2.43
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane?
The IUPAC name of 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane (CID 142171532) is 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane.
What is the SMILES notation for 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane?
The canonical SMILES for 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane is CC.NC1=CCCCC(C(=O)N2CCCCC2C(=O)O)=C1.
What is the InChIKey of 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane?
The InChIKey is OZNFSDKNAVUCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.C2H6/c15-11-6-2-1-5-10(9-11)13(17)16-8-4-3-7-12(16)14(18)19;1-2/h6,9,12H,1-5,7-8,15H2,(H,18,19);1-2H3.
What are the key properties of 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane?
1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane has a molecular weight of 294.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane is sourced from PubChem (CID 142171532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).