N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide

C26H36N4O3 — CID 42755681

IUPACN-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCCCC1
InChIInChI=1S/C26H36N4O3/c1-4-29(5-2)18-15-27-25(31)22-19-20(13-14-23(22)30-16-9-6-10-17-30)28-26(32)21-11-7-8-12-24(21)33-3/h7-8,11-14,19H,4-6,9-10,15-18H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyFBFJQBGMSHDYGG-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.01
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide

N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 42755681) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID42755681
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCCCC1
InChIInChI=1S/C26H36N4O3/c1-4-29(5-2)18-15-27-25(31)22-19-20(13-14-23(22)30-16-9-6-10-17-30)28-26(32)21-11-7-8-12-24(21)33-3/h7-8,11-14,19H,4-6,9-10,15-18H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyFBFJQBGMSHDYGG-UHFFFAOYSA-N
XLogP4.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.01
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

5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42756099
N-[2-(diethylamino)ethyl]-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 4566951
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbamoylamino]benzamide
CID 42661965
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 42756086
N-[2-(diethylamino)ethyl]-5-(3,3-dimethylbutanoylamino)-2-piperidin-1-ylbenzamide
CID 4538451
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679
N-[2-(diethylamino)ethyl]-5-[(4-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3323472

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 42755681) is N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCCCC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is FBFJQBGMSHDYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-4-29(5-2)18-15-27-25(31)22-19-20(13-14-23(22)30-16-9-6-10-17-30)28-26(32)21-11-7-8-12-24(21)33-3/h7-8,11-14,19H,4-6,9-10,15-18H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 452.60 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42755681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).