1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide

C15H24N2O — CID 70510605

IUPAC1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCN2CCCCC2)C=CC=CC1
InChIInChI=1S/C15H24N2O/c16-14(18)15(8-3-1-4-9-15)10-7-13-17-11-5-2-6-12-17/h1,3-4,8H,2,5-7,9-13H2,(H2,16,18)
InChIKeyCAYJQFWWPPJBGZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide

1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70510605) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID70510605
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCN2CCCCC2)C=CC=CC1
InChIInChI=1S/C15H24N2O/c16-14(18)15(8-3-1-4-9-15)10-7-13-17-11-5-2-6-12-17/h1,3-4,8H,2,5-7,9-13H2,(H2,16,18)
InChIKeyCAYJQFWWPPJBGZ-UHFFFAOYSA-N
XLogP2.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cambridge id 5427570
CID 2845954
Cambridge id 5431381
CID 2846180
(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide
CID 164630537
2-Methyl-2-azaspiro[5.5]undec-8-en-1-one
CID 71421676
6-Amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 23324053
6-Amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 23324097
6-Amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
CID 23324118
1-[3-(Dimethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide
CID 70508720
1-(2-Piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide
CID 70509241
1-[3-(4-Hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70509476
1-[3-(Diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide
CID 70509685
1-(6-Piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide
CID 70509779

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide (CID 70510605) is 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(CCCN2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is CAYJQFWWPPJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-14(18)15(8-3-1-4-9-15)10-7-13-17-11-5-2-6-12-17/h1,3-4,8H,2,5-7,9-13H2,(H2,16,18).
What are the key properties of 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70510605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).