4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide

C17H24N2O — CID 177188800

IUPAC4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(N)=O)(C2=C/C=C\C=C/C=C\2)CC1
InChIInChI=1S/C17H24N2O/c1-2-12-19-13-10-17(11-14-19,16(18)20)15-8-6-4-3-5-7-9-15/h3-9H,2,10-14H2,1H3,(H2,18,20)/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,15-8+,15-9+
InChIKeyOPVHCKKLSYOIST-HKDBXQNHSA-N
MW272.39 g/mol
LogP2.57
Rot. Bonds4

About 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide

4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide (PubChem CID 177188800) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide
PubChem CID177188800
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(N)=O)(C2=C/C=C\C=C/C=C\2)CC1
InChIInChI=1S/C17H24N2O/c1-2-12-19-13-10-17(11-14-19,16(18)20)15-8-6-4-3-5-7-9-15/h3-9H,2,10-14H2,1H3,(H2,18,20)/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,15-8+,15-9+
InChIKeyOPVHCKKLSYOIST-HKDBXQNHSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide?
The IUPAC name of 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide (CID 177188800) is 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide?
The canonical SMILES for 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide is CCCN1CCC(C(N)=O)(C2=C/C=C\C=C/C=C\2)CC1.
What is the InChIKey of 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide?
The InChIKey is OPVHCKKLSYOIST-HKDBXQNHSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-12-19-13-10-17(11-14-19,16(18)20)15-8-6-4-3-5-7-9-15/h3-9H,2,10-14H2,1H3,(H2,18,20)/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,15-8+,15-9+.
What are the key properties of 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide?
4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 177188800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).