4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide

C30H38N4O6 — CID 23876587

IUPAC4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCO2)C2CC(C(=O)N3CCNCC3)N(C(=O)c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C30H38N4O6/c1-38-24-10-8-21(9-11-24)28(35)33(20-26-7-4-16-40-26)23-18-27(30(37)32-14-12-31-13-15-32)34(19-23)29(36)22-5-3-6-25(17-22)39-2/h3,5-6,8-11,17,23,26-27,31H,4,7,12-16,18-20H2,1-2H3
InChIKeyKSHMTJWVECUFJF-UHFFFAOYSA-N
MW550.66 g/mol
LogP2.04
Rot. Bonds8

About 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide

4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 23876587) has the molecular formula C30H38N4O6 and a molecular weight of 550.66 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID23876587
Molecular FormulaC30H38N4O6
Molecular Weight550.66 g/mol
Exact Mass550.28
IUPAC Name4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCO2)C2CC(C(=O)N3CCNCC3)N(C(=O)c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C30H38N4O6/c1-38-24-10-8-21(9-11-24)28(35)33(20-26-7-4-16-40-26)23-18-27(30(37)32-14-12-31-13-15-32)34(19-23)29(36)22-5-3-6-25(17-22)39-2/h3,5-6,8-11,17,23,26-27,31H,4,7,12-16,18-20H2,1-2H3
InChIKeyKSHMTJWVECUFJF-UHFFFAOYSA-N
XLogP2.04
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-fluorobenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23795706
N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23911294
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 23738249
4-methoxy-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 23735619
N-cyclopropyl-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 23938445
N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 23931501
[4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23857238
[1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23765977
[4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23852580
[4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 23850754
N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 23876988
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 23876587) is 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(CC2CCCO2)C2CC(C(=O)N3CCNCC3)N(C(=O)c3cccc(OC)c3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KSHMTJWVECUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O6/c1-38-24-10-8-21(9-11-24)28(35)33(20-26-7-4-16-40-26)23-18-27(30(37)32-14-12-31-13-15-32)34(19-23)29(36)22-5-3-6-25(17-22)39-2/h3,5-6,8-11,17,23,26-27,31H,4,7,12-16,18-20H2,1-2H3.
What are the key properties of 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide?
4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 550.66 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 23876587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).