3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one

C28H41N3O3 — CID 55916326

IUPAC3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C28H41N3O3/c32-26(13-11-23-7-3-1-4-8-23)29-17-15-25(16-18-29)28(34)31-21-19-30(20-22-31)27(33)14-12-24-9-5-2-6-10-24/h1,3-4,7-8,24-25H,2,5-6,9-22H2
InChIKeyJCQAZBCKVSDNKN-UHFFFAOYSA-N
MW467.65 g/mol
LogP3.89
Rot. Bonds7

About 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 55916326) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
PubChem CID55916326
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC Name3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C28H41N3O3/c32-26(13-11-23-7-3-1-4-8-23)29-17-15-25(16-18-29)28(34)31-21-19-30(20-22-31)27(33)14-12-24-9-5-2-6-10-24/h1,3-4,7-8,24-25H,2,5-6,9-22H2
InChIKeyJCQAZBCKVSDNKN-UHFFFAOYSA-N
XLogP3.89
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
CID 55634615
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
3-cyclohexyl-1-[4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 134708657
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 56544721
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one (CID 55916326) is 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
The InChIKey is JCQAZBCKVSDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3/c32-26(13-11-23-7-3-1-4-8-23)29-17-15-25(16-18-29)28(34)31-21-19-30(20-22-31)27(33)14-12-24-9-5-2-6-10-24/h1,3-4,7-8,24-25H,2,5-6,9-22H2.
What are the key properties of 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 467.65 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55916326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).