2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C25H31N3O4 — CID 42755598

IUPAC2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C25H31N3O4/c1-31-19-9-10-20(23(17-19)32-2)24(29)26-18-8-11-22(27-12-4-3-5-13-27)21(16-18)25(30)28-14-6-7-15-28/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,29)
InChIKeyFMFZHHVATTYRMT-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.18
Rot. Bonds6

About 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide

2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 42755598) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID42755598
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C25H31N3O4/c1-31-19-9-10-20(23(17-19)32-2)24(29)26-18-8-11-22(27-12-4-3-5-13-27)21(16-18)25(30)28-14-6-7-15-28/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,29)
InChIKeyFMFZHHVATTYRMT-UHFFFAOYSA-N
XLogP4.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 4574277
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]urea
CID 1064665
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
2-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42752888
2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 42678422
3-methoxy-N-[4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42678519
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 42678533

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 42755598) is 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)N3CCCC3)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is FMFZHHVATTYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-19-9-10-20(23(17-19)32-2)24(29)26-18-8-11-22(27-12-4-3-5-13-27)21(16-18)25(30)28-14-6-7-15-28/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,29).
What are the key properties of 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 42755598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).