N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide

C27H37FN4O2 — CID 42757259

IUPACN-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCC(C)CC1
InChIInChI=1S/C27H37FN4O2/c1-4-31(5-2)17-14-29-27(34)24-19-23(10-11-25(24)32-15-12-20(3)13-16-32)30-26(33)18-21-6-8-22(28)9-7-21/h6-11,19-20H,4-5,12-18H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyBCTWAAWMGAPOGB-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.31
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide

N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 42757259) has the molecular formula C27H37FN4O2 and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID42757259
Molecular FormulaC27H37FN4O2
Molecular Weight468.62 g/mol
Exact Mass468.29
IUPAC NameN-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCC(C)CC1
InChIInChI=1S/C27H37FN4O2/c1-4-31(5-2)17-14-29-27(34)24-19-23(10-11-25(24)32-15-12-20(3)13-16-32)30-26(33)18-21-6-8-22(28)9-7-21/h6-11,19-20H,4-5,12-18H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyBCTWAAWMGAPOGB-UHFFFAOYSA-N
XLogP4.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 42757410
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
5-[(4-ethylbenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 4288926
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42757051
N-[2-(diethylamino)ethyl]-5-(3,3-dimethylbutanoylamino)-2-piperidin-1-ylbenzamide
CID 4538451
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063328
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide (CID 42757259) is N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCC(C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is BCTWAAWMGAPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN4O2/c1-4-31(5-2)17-14-29-27(34)24-19-23(10-11-25(24)32-15-12-20(3)13-16-32)30-26(33)18-21-6-8-22(28)9-7-21/h6-11,19-20H,4-5,12-18H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 468.62 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 42757259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).