5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide

C24H31N3O4 — CID 4546352

IUPAC5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCCCC1
InChIInChI=1S/C24H31N3O4/c1-4-12-25-23(28)20-15-17(8-11-21(20)27-13-6-5-7-14-27)26-24(29)19-10-9-18(30-2)16-22(19)31-3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLYSWKJCNHCPTOM-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.09
Rot. Bonds8

About 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide

5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide (PubChem CID 4546352) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
PubChem CID4546352
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCCCC1
InChIInChI=1S/C24H31N3O4/c1-4-12-25-23(28)20-15-17(8-11-21(20)27-13-6-5-7-14-27)26-24(29)19-10-9-18(30-2)16-22(19)31-3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLYSWKJCNHCPTOM-UHFFFAOYSA-N
XLogP4.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
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

N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 4574277
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5158439
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42755681
N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1064743
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1065465

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
The IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide (CID 4546352) is 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide.
What is the SMILES notation for 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
The canonical SMILES for 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCCCC1.
What is the InChIKey of 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
The InChIKey is LYSWKJCNHCPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-12-25-23(28)20-15-17(8-11-21(20)27-13-6-5-7-14-27)26-24(29)19-10-9-18(30-2)16-22(19)31-3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide has a molecular weight of 425.53 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide is sourced from PubChem (CID 4546352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).