2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone

C21H31N3O2 — CID 167764357

IUPAC2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone
SMILESCCCc1ccccc1C(=O)N1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C21H31N3O2/c1-2-8-18-9-4-5-10-19(18)21(26)24-15-13-23(14-16-24)20(25)17-22-11-6-3-7-12-22/h4-5,9-10H,2-3,6-8,11-17H2,1H3
InChIKeyRFCPCGPYZYZLPM-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.41
Rot. Bonds5

About 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone

2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 167764357) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone
PubChem CID167764357
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone
SMILESCCCc1ccccc1C(=O)N1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C21H31N3O2/c1-2-8-18-9-4-5-10-19(18)21(26)24-15-13-23(14-16-24)20(25)17-22-11-6-3-7-12-22/h4-5,9-10H,2-3,6-8,11-17H2,1H3
InChIKeyRFCPCGPYZYZLPM-UHFFFAOYSA-N
XLogP2.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
3-(2-aminophenyl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612951
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
methyl 2-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]sulfanylpropanoate
CID 55871171
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone (CID 167764357) is 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone is CCCc1ccccc1C(=O)N1CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is RFCPCGPYZYZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-8-18-9-4-5-10-19(18)21(26)24-15-13-23(14-16-24)20(25)17-22-11-6-3-7-12-22/h4-5,9-10H,2-3,6-8,11-17H2,1H3.
What are the key properties of 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone?
2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 167764357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).