2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide

C19H28N4O3 — CID 86992700

IUPAC2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)NCC2CCCO2)CC1)Nc1ccccc1
InChIInChI=1S/C19H28N4O3/c24-18(21-15-5-2-1-3-6-15)14-23-10-8-16(9-11-23)22-19(25)20-13-17-7-4-12-26-17/h1-3,5-6,16-17H,4,7-14H2,(H,21,24)(H2,20,22,25)
InChIKeyDZCJWJQIQVUXQD-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide

2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide (PubChem CID 86992700) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide
PubChem CID86992700
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)NCC2CCCO2)CC1)Nc1ccccc1
InChIInChI=1S/C19H28N4O3/c24-18(21-15-5-2-1-3-6-15)14-23-10-8-16(9-11-23)22-19(25)20-13-17-7-4-12-26-17/h1-3,5-6,16-17H,4,7-14H2,(H,21,24)(H2,20,22,25)
InChIKeyDZCJWJQIQVUXQD-UHFFFAOYSA-N
XLogP1.57
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide
CID 112829656
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119840351
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide (CID 86992700) is 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(NC(=O)NCC2CCCO2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is DZCJWJQIQVUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-18(21-15-5-2-1-3-6-15)14-23-10-8-16(9-11-23)22-19(25)20-13-17-7-4-12-26-17/h1-3,5-6,16-17H,4,7-14H2,(H,21,24)(H2,20,22,25).
What are the key properties of 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide?
2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 360.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 86992700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).