1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol

C30H44N4O4 — CID 132780793

IUPAC1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
SMILESCCOc1cc(CN2CCC(O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1
InChIInChI=1S/C30H44N4O4/c1-2-37-29-22-26(8-9-28(29)38-21-18-31-16-19-36-20-17-31)23-33-11-10-30(35,25-33)24-32-12-14-34(15-13-32)27-6-4-3-5-7-27/h3-9,22,35H,2,10-21,23-25H2,1H3
InChIKeyIMTCLRHCFBGSBR-UHFFFAOYSA-N
MW524.71 g/mol
LogP2.56
Rot. Bonds11

About 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol

1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 132780793) has the molecular formula C30H44N4O4 and a molecular weight of 524.71 g/mol. Its IUPAC name is 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
PubChem CID132780793
Molecular FormulaC30H44N4O4
Molecular Weight524.71 g/mol
Exact Mass524.34
IUPAC Name1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
SMILESCCOc1cc(CN2CCC(O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1
InChIInChI=1S/C30H44N4O4/c1-2-37-29-22-26(8-9-28(29)38-21-18-31-16-19-36-20-17-31)23-33-11-10-30(35,25-33)24-32-12-14-34(15-13-32)27-6-4-3-5-7-27/h3-9,22,35H,2,10-21,23-25H2,1H3
InChIKeyIMTCLRHCFBGSBR-UHFFFAOYSA-N
XLogP2.56
TPSA60.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129459942
(3S)-1-[[4-(2-fluoroethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 129458541
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132780514
3-[[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 132780013
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
2-[4-[[(3S)-3-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 129460105
4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20986226
1-[4-[[1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 132772777
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
3-[[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 132780517
2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983

Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol (CID 132780793) is 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol is CCOc1cc(CN2CCC(O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1.
What is the InChIKey of 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IMTCLRHCFBGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O4/c1-2-37-29-22-26(8-9-28(29)38-21-18-31-16-19-36-20-17-31)23-33-11-10-30(35,25-33)24-32-12-14-34(15-13-32)27-6-4-3-5-7-27/h3-9,22,35H,2,10-21,23-25H2,1H3.
What are the key properties of 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 524.71 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132780793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).