1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C20H28N2O3 — CID 113003393

IUPAC1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-15-4-2-5-16(12-15)13-19(23)22-9-7-17(8-10-22)20(24)21-14-18-6-3-11-25-18/h2,4-5,12,17-18H,3,6-11,13-14H2,1H3,(H,21,24)
InChIKeyDZDJTCTZKMJHAT-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 113003393) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID113003393
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-15-4-2-5-16(12-15)13-19(23)22-9-7-17(8-10-22)20(24)21-14-18-6-3-11-25-18/h2,4-5,12,17-18H,3,6-11,13-14H2,1H3,(H,21,24)
InChIKeyDZDJTCTZKMJHAT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003541
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42458414
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943652
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 113003393) is 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DZDJTCTZKMJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-4-2-5-16(12-15)13-19(23)22-9-7-17(8-10-22)20(24)21-14-18-6-3-11-25-18/h2,4-5,12,17-18H,3,6-11,13-14H2,1H3,(H,21,24).
What are the key properties of 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).