3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

C24H37N3O3 — CID 45179427

IUPAC3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)NCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)CC1CCCO1
InChIInChI=1S/C24H37N3O3/c1-19-6-3-4-7-22(19)17-26-13-10-21(11-14-26)16-27(18-23-8-5-15-30-23)24(29)9-12-25-20(2)28/h3-4,6-7,21,23H,5,8-18H2,1-2H3,(H,25,28)
InChIKeyNKIDQORPXWXTMM-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.74
Rot. Bonds9

About 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45179427) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45179427
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)NCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)CC1CCCO1
InChIInChI=1S/C24H37N3O3/c1-19-6-3-4-7-22(19)17-26-13-10-21(11-14-26)16-27(18-23-8-5-15-30-23)24(29)9-12-25-20(2)28/h3-4,6-7,21,23H,5,8-18H2,1-2H3,(H,25,28)
InChIKeyNKIDQORPXWXTMM-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 45179427) is 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is CC(=O)NCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)CC1CCCO1.
What is the InChIKey of 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is NKIDQORPXWXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-19-6-3-4-7-22(19)17-26-13-10-21(11-14-26)16-27(18-23-8-5-15-30-23)24(29)9-12-25-20(2)28/h3-4,6-7,21,23H,5,8-18H2,1-2H3,(H,25,28).
What are the key properties of 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 415.58 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45179427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).