1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C22H25N3O2 — CID 95805550

IUPAC1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H25N3O2/c23-21(27)22(9-12-25(13-10-22)20(26)16-7-8-16)14-17-4-1-2-6-19(17)18-5-3-11-24-15-18/h1-6,11,15-16H,7-10,12-14H2,(H2,23,27)
InChIKeyOHOODJVZOFXDHO-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.80
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805550) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID95805550
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H25N3O2/c23-21(27)22(9-12-25(13-10-22)20(26)16-7-8-16)14-17-4-1-2-6-19(17)18-5-3-11-24-15-18/h1-6,11,15-16H,7-10,12-14H2,(H2,23,27)
InChIKeyOHOODJVZOFXDHO-UHFFFAOYSA-N
XLogP2.80
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805550) is 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is OHOODJVZOFXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-21(27)22(9-12-25(13-10-22)20(26)16-7-8-16)14-17-4-1-2-6-19(17)18-5-3-11-24-15-18/h1-6,11,15-16H,7-10,12-14H2,(H2,23,27).
What are the key properties of 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).