N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide

C24H26ClFN4O2 — CID 59429610

IUPACN-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C24H26ClFN4O2/c25-17-5-6-19-20(14-30(22(19)13-17)15-23(31)28-10-9-27)24(32)29-11-7-16(8-12-29)18-3-1-2-4-21(18)26/h1-6,13-14,16H,7-12,15,27H2,(H,28,31)
InChIKeyIPDYINOGWIEJQL-UHFFFAOYSA-N
MW456.95 g/mol
LogP3.53
Rot. Bonds6

About N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide

N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide (PubChem CID 59429610) has the molecular formula C24H26ClFN4O2 and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
PubChem CID59429610
Molecular FormulaC24H26ClFN4O2
Molecular Weight456.95 g/mol
Exact Mass456.17
IUPAC NameN-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C24H26ClFN4O2/c25-17-5-6-19-20(14-30(22(19)13-17)15-23(31)28-10-9-27)24(32)29-11-7-16(8-12-29)18-3-1-2-4-21(18)26/h1-6,13-14,16H,7-12,15,27H2,(H,28,31)
InChIKeyIPDYINOGWIEJQL-UHFFFAOYSA-N
XLogP3.53
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetaldehyde;hydrochloride
CID 87470632
2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 66744256
1,5-bis[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]-2,4-bis(4-methylpiperazin-1-yl)pentan-3-one
CID 174548474
2-[6-chloro-3-[4-[2-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]indol-1-yl]acetic acid
CID 66744454
2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-1-piperazin-1-ylethanone;hydrochloride
CID 66744362
2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 59429679
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-phenylethyl)indol-3-yl]methanone
CID 67255402
2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 24987657
2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone
CID 141166813
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanone
CID 67257983
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)indol-3-yl]methanone
CID 53258378

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide (CID 59429610) is N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide is NCCNC(=O)Cn1cc(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21.
What is the InChIKey of N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide?
The InChIKey is IPDYINOGWIEJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2/c25-17-5-6-19-20(14-30(22(19)13-17)15-23(31)28-10-9-27)24(32)29-11-7-16(8-12-29)18-3-1-2-4-21(18)26/h1-6,13-14,16H,7-12,15,27H2,(H,28,31).
What are the key properties of N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide?
N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide has a molecular weight of 456.95 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide is sourced from PubChem (CID 59429610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).