N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide

C29H29ClFN3O — CID 22714396

IUPACN-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2)cc1CCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C29H29ClFN3O/c1-19-5-10-24(33-29(35)21-6-8-23(31)9-7-21)17-22(19)13-16-34-14-11-20(12-15-34)26-18-32-28-25(26)3-2-4-27(28)30/h2-10,17-18,20,32H,11-16H2,1H3,(H,33,35)
InChIKeyKFKUIMDCNNLHTM-UHFFFAOYSA-N
MW490.02 g/mol
LogP6.94
Rot. Bonds6

About N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide

N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide (PubChem CID 22714396) has the molecular formula C29H29ClFN3O and a molecular weight of 490.02 g/mol. Its IUPAC name is N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide
PubChem CID22714396
Molecular FormulaC29H29ClFN3O
Molecular Weight490.02 g/mol
Exact Mass489.20
IUPAC NameN-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2)cc1CCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C29H29ClFN3O/c1-19-5-10-24(33-29(35)21-6-8-23(31)9-7-21)17-22(19)13-16-34-14-11-20(12-15-34)26-18-32-28-25(26)3-2-4-27(28)30/h2-10,17-18,20,32H,11-16H2,1H3,(H,33,35)
InChIKeyKFKUIMDCNNLHTM-UHFFFAOYSA-N
XLogP6.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.02
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide
CID 10276428
tert-butyl N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]carbamate
CID 10138878
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881551
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 22484045
6-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-1-one
CID 22484021
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide (CID 22714396) is N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide is Cc1ccc(NC(=O)c2ccc(F)cc2)cc1CCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1.
What is the InChIKey of N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide?
The InChIKey is KFKUIMDCNNLHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFN3O/c1-19-5-10-24(33-29(35)21-6-8-23(31)9-7-21)17-22(19)13-16-34-14-11-20(12-15-34)26-18-32-28-25(26)3-2-4-27(28)30/h2-10,17-18,20,32H,11-16H2,1H3,(H,33,35).
What are the key properties of N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide?
N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide has a molecular weight of 490.02 g/mol, XLogP of 6.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 22714396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).