2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

C23H34N4O3 — CID 55412944

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(C(=O)N2CCCCC2)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C23H34N4O3/c28-21(25-15-17-30-18-16-25)19-24-11-13-26(14-12-24)22(20-7-3-1-4-8-20)23(29)27-9-5-2-6-10-27/h1,3-4,7-8,22H,2,5-6,9-19H2
InChIKeyCBBBSHNFVQDIPD-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 55412944) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
PubChem CID55412944
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(C(=O)N2CCCCC2)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C23H34N4O3/c28-21(25-15-17-30-18-16-25)19-24-11-13-26(14-12-24)22(20-7-3-1-4-8-20)23(29)27-9-5-2-6-10-27/h1,3-4,7-8,22H,2,5-6,9-19H2
InChIKeyCBBBSHNFVQDIPD-UHFFFAOYSA-N
XLogP1.22
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone with MolForge

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 30959081
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55432148
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
N,N-diethyl-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 55498439
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone (CID 55412944) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone is O=C(CN1CCN(C(C(=O)N2CCCCC2)c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is CBBBSHNFVQDIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-21(25-15-17-30-18-16-25)19-24-11-13-26(14-12-24)22(20-7-3-1-4-8-20)23(29)27-9-5-2-6-10-27/h1,3-4,7-8,22H,2,5-6,9-19H2.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 414.55 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 55412944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).