3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C21H29N3O2 — CID 45190596

IUPAC3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)C2CC=CCC2)CC1)NCc1cccnc1
InChIInChI=1S/C21H29N3O2/c25-20(23-16-18-5-4-12-22-15-18)9-8-17-10-13-24(14-11-17)21(26)19-6-2-1-3-7-19/h1-2,4-5,12,15,17,19H,3,6-11,13-14,16H2,(H,23,25)
InChIKeyHNJVBRQUAHQFLN-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.07
Rot. Bonds6

About 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 45190596) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID45190596
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)C2CC=CCC2)CC1)NCc1cccnc1
InChIInChI=1S/C21H29N3O2/c25-20(23-16-18-5-4-12-22-15-18)9-8-17-10-13-24(14-11-17)21(26)19-6-2-1-3-7-19/h1-2,4-5,12,15,17,19H,3,6-11,13-14,16H2,(H,23,25)
InChIKeyHNJVBRQUAHQFLN-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
1-(4-benzylpiperidin-1-yl)-3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]propan-1-one
CID 45208663
3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56719004
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
CID 25288418
3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45236973
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 45190596) is 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCC1CCN(C(=O)C2CC=CCC2)CC1)NCc1cccnc1.
What is the InChIKey of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HNJVBRQUAHQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(23-16-18-5-4-12-22-15-18)9-8-17-10-13-24(14-11-17)21(26)19-6-2-1-3-7-19/h1-2,4-5,12,15,17,19H,3,6-11,13-14,16H2,(H,23,25).
What are the key properties of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 45190596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).