N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

C21H31N3O3 — CID 45177677

IUPACN-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1CCCc1ccccc1)NCC1CCOCC1
InChIInChI=1S/C21H31N3O3/c25-20(23-16-18-8-13-27-14-9-18)15-19-21(26)22-10-12-24(19)11-4-7-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H,22,26)(H,23,25)
InChIKeyFERGJIAPRPJSBB-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.35
Rot. Bonds8

About N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 45177677) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID45177677
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1CCCc1ccccc1)NCC1CCOCC1
InChIInChI=1S/C21H31N3O3/c25-20(23-16-18-8-13-27-14-9-18)15-19-21(26)22-10-12-24(19)11-4-7-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H,22,26)(H,23,25)
InChIKeyFERGJIAPRPJSBB-UHFFFAOYSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
N-[(1-hydroxycyclohexyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45237223
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42245676
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42197313
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95727195

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 45177677) is N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1CCCc1ccccc1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is FERGJIAPRPJSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(23-16-18-8-13-27-14-9-18)15-19-21(26)22-10-12-24(19)11-4-7-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H,22,26)(H,23,25).
What are the key properties of N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 45177677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).