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

C24H29N3O2 — CID 110083448

IUPAC1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H29N3O2/c1-2-26-23(29)24(11-15-27(16-12-24)22(28)19-7-8-19)17-20-5-3-4-6-21(20)18-9-13-25-14-10-18/h3-6,9-10,13-14,19H,2,7-8,11-12,15-17H2,1H3,(H,26,29)
InChIKeySAYZMLCTGAVAFE-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.45
Rot. Bonds6

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

1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083448) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083448
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H29N3O2/c1-2-26-23(29)24(11-15-27(16-12-24)22(28)19-7-8-19)17-20-5-3-4-6-21(20)18-9-13-25-14-10-18/h3-6,9-10,13-14,19H,2,7-8,11-12,15-17H2,1H3,(H,26,29)
InChIKeySAYZMLCTGAVAFE-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110247282
(3S)-1-(cyclohexanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579143
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
(3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591819
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231737
(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579132
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083448) is 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SAYZMLCTGAVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-26-23(29)24(11-15-27(16-12-24)22(28)19-7-8-19)17-20-5-3-4-6-21(20)18-9-13-25-14-10-18/h3-6,9-10,13-14,19H,2,7-8,11-12,15-17H2,1H3,(H,26,29).
What are the key properties of 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).