1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C24H36N4O — CID 45253215

IUPAC1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C2CCN(CC3CC=CCC3)CC2)CC1
InChIInChI=1S/C24H36N4O/c29-24(26-18-22-8-4-5-13-25-22)21-9-16-28(17-10-21)23-11-14-27(15-12-23)19-20-6-2-1-3-7-20/h1-2,4-5,8,13,20-21,23H,3,6-7,9-12,14-19H2,(H,26,29)
InChIKeyKZUKCXSMVCIRNX-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.23
Rot. Bonds6

About 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 45253215) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID45253215
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C2CCN(CC3CC=CCC3)CC2)CC1
InChIInChI=1S/C24H36N4O/c29-24(26-18-22-8-4-5-13-25-22)21-9-16-28(17-10-21)23-11-14-27(15-12-23)19-20-6-2-1-3-7-20/h1-2,4-5,8,13,20-21,23H,3,6-7,9-12,14-19H2,(H,26,29)
InChIKeyKZUKCXSMVCIRNX-UHFFFAOYSA-N
XLogP3.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 29188826
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
1-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 24817224
1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 28955762
6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465422
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 7316736
1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26392970
(3R,5S)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 133114419
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 45253215) is 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(C2CCN(CC3CC=CCC3)CC2)CC1.
What is the InChIKey of 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KZUKCXSMVCIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c29-24(26-18-22-8-4-5-13-25-22)21-9-16-28(17-10-21)23-11-14-27(15-12-23)19-20-6-2-1-3-7-20/h1-2,4-5,8,13,20-21,23H,3,6-7,9-12,14-19H2,(H,26,29).
What are the key properties of 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45253215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).