4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

C30H35N3O3 — CID 55661043

IUPAC4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C30H35N3O3/c34-30(24-12-14-28(15-13-24)36-23-29-11-6-20-35-29)31-21-25-7-4-5-8-26(25)22-32-16-18-33(19-17-32)27-9-2-1-3-10-27/h1-5,7-10,12-15,29H,6,11,16-23H2,(H,31,34)
InChIKeyDMYARKOGUSKGCD-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.50
Rot. Bonds9

About 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 55661043) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID55661043
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C30H35N3O3/c34-30(24-12-14-28(15-13-24)36-23-29-11-6-20-35-29)31-21-25-7-4-5-8-26(25)22-32-16-18-33(19-17-32)27-9-2-1-3-10-27/h1-5,7-10,12-15,29H,6,11,16-23H2,(H,31,34)
InChIKeyDMYARKOGUSKGCD-UHFFFAOYSA-N
XLogP4.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46524153
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 91641650
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55492878
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (CID 55661043) is 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is DMYARKOGUSKGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c34-30(24-12-14-28(15-13-24)36-23-29-11-6-20-35-29)31-21-25-7-4-5-8-26(25)22-32-16-18-33(19-17-32)27-9-2-1-3-10-27/h1-5,7-10,12-15,29H,6,11,16-23H2,(H,31,34).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 485.63 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 55661043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).