1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide

C20H28N2O3 — CID 124841294

IUPAC1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCC[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15-2-4-18(5-3-15)20(24)22-11-7-17(8-12-22)19(23)21-10-6-16-9-13-25-14-16/h2-5,16-17H,6-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyAFBWFMATDOOHOB-MRXNPFEDSA-N
MW344.45 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide

1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide (PubChem CID 124841294) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide
PubChem CID124841294
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCC[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15-2-4-18(5-3-15)20(24)22-11-7-17(8-12-22)19(23)21-10-6-16-9-13-25-14-16/h2-5,16-17H,6-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyAFBWFMATDOOHOB-MRXNPFEDSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
CID 125179458
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131908404
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
3,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzamide
CID 46378959
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide (CID 124841294) is 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCC[C@@H]3CCOC3)CC2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is AFBWFMATDOOHOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-2-4-18(5-3-15)20(24)22-11-7-17(8-12-22)19(23)21-10-6-16-9-13-25-14-16/h2-5,16-17H,6-14H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide?
1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 124841294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).