1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide

C22H27N3O4 — CID 162630508

IUPAC1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCc1ccnc(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-4-15-5-8-23-20(11-15)24-21(26)16-6-9-25(10-7-16)22(27)17-12-18(28-2)14-19(13-17)29-3/h5,8,11-14,16H,4,6-7,9-10H2,1-3H3,(H,23,24,26)
InChIKeyDYTRTMIRDCKAKM-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.15
Rot. Bonds6

About 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 162630508) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID162630508
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCc1ccnc(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-4-15-5-8-23-20(11-15)24-21(26)16-6-9-25(10-7-16)22(27)17-12-18(28-2)14-19(13-17)29-3/h5,8,11-14,16H,4,6-7,9-10H2,1-3H3,(H,23,24,26)
InChIKeyDYTRTMIRDCKAKM-UHFFFAOYSA-N
XLogP3.15
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47045213
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 55796103
1-(3,5-dimethoxybenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-4-carboxamide
CID 55721837
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide (CID 162630508) is 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide is CCc1ccnc(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is DYTRTMIRDCKAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-15-5-8-23-20(11-15)24-21(26)16-6-9-25(10-7-16)22(27)17-12-18(28-2)14-19(13-17)29-3/h5,8,11-14,16H,4,6-7,9-10H2,1-3H3,(H,23,24,26).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 162630508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).