N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

C27H35N3O3 — CID 45196587

IUPACN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESCCN1CC(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O
InChIInChI=1S/C27H35N3O3/c1-2-30-20-22(18-26(30)31)19-28-27(32)23-8-10-24(11-9-23)33-25-13-16-29(17-14-25)15-12-21-6-4-3-5-7-21/h3-11,22,25H,2,12-20H2,1H3,(H,28,32)
InChIKeyKKWVWDGAQVCNNS-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.37
Rot. Bonds9

About N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45196587) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
PubChem CID45196587
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESCCN1CC(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O
InChIInChI=1S/C27H35N3O3/c1-2-30-20-22(18-26(30)31)19-28-27(32)23-8-10-24(11-9-23)33-25-13-16-29(17-14-25)15-12-21-6-4-3-5-7-21/h3-11,22,25H,2,12-20H2,1H3,(H,28,32)
InChIKeyKKWVWDGAQVCNNS-UHFFFAOYSA-N
XLogP3.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
CID 42527447
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45207748
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (CID 45196587) is N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is CCN1CC(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O.
What is the InChIKey of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is KKWVWDGAQVCNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-2-30-20-22(18-26(30)31)19-28-27(32)23-8-10-24(11-9-23)33-25-13-16-29(17-14-25)15-12-21-6-4-3-5-7-21/h3-11,22,25H,2,12-20H2,1H3,(H,28,32).
What are the key properties of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 449.60 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45196587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).