2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C24H36N4O4 — CID 55967026

IUPAC2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C24H36N4O4/c1-19(2)25-22(29)18-26-12-14-27(15-13-26)24(31)20-7-6-11-28(17-20)23(30)10-16-32-21-8-4-3-5-9-21/h3-5,8-9,19-20H,6-7,10-18H2,1-2H3,(H,25,29)
InChIKeyIDOQUELKGKOISD-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.36
Rot. Bonds8

About 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55967026) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55967026
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C24H36N4O4/c1-19(2)25-22(29)18-26-12-14-27(15-13-26)24(31)20-7-6-11-28(17-20)23(30)10-16-32-21-8-4-3-5-9-21/h3-5,8-9,19-20H,6-7,10-18H2,1-2H3,(H,25,29)
InChIKeyIDOQUELKGKOISD-UHFFFAOYSA-N
XLogP1.36
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55606843
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55967043
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 55967026) is 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1.
What is the InChIKey of 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is IDOQUELKGKOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-19(2)25-22(29)18-26-12-14-27(15-13-26)24(31)20-7-6-11-28(17-20)23(30)10-16-32-21-8-4-3-5-9-21/h3-5,8-9,19-20H,6-7,10-18H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 444.58 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).