2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide

C19H27N3O3 — CID 46037624

IUPAC2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-15-8-10-22(11-9-15)18-7-3-2-6-17(18)19(24)20-13-16-5-4-12-25-16/h2-3,6-7,15-16H,4-5,8-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyKITQWZKXWOSPLY-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.70
Rot. Bonds5

About 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide

2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46037624) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46037624
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-15-8-10-22(11-9-15)18-7-3-2-6-17(18)19(24)20-13-16-5-4-12-25-16/h2-3,6-7,15-16H,4-5,8-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyKITQWZKXWOSPLY-UHFFFAOYSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038581
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93324275
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3283955
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1065756
N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 3994766
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124578851

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 46037624) is 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is CC(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KITQWZKXWOSPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)21-15-8-10-22(11-9-15)18-7-3-2-6-17(18)19(24)20-13-16-5-4-12-25-16/h2-3,6-7,15-16H,4-5,8-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).