4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C28H34FN5O2 — CID 57344319

IUPAC4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C28H34FN5O2/c29-20-4-3-5-22(16-20)33-28(36)34-14-12-19(13-15-34)26(27(30)35)32-21-10-8-18(9-11-21)24-17-31-25-7-2-1-6-23(24)25/h1-7,16-19,21,26,31-32H,8-15H2,(H2,30,35)(H,33,36)
InChIKeyZICUWIUSJHBWSP-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.72
Rot. Bonds6

About 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 57344319) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID57344319
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC Name4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C28H34FN5O2/c29-20-4-3-5-22(16-20)33-28(36)34-14-12-19(13-15-34)26(27(30)35)32-21-10-8-18(9-11-21)24-17-31-25-7-2-1-6-23(24)25/h1-7,16-19,21,26,31-32H,8-15H2,(H2,30,35)(H,33,36)
InChIKeyZICUWIUSJHBWSP-UHFFFAOYSA-N
XLogP4.72
TPSA103.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3,5-difluorophenyl)piperidine-1-carboxamide
CID 57344231
2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
CID 67775708
2-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
CID 57344296
4-[2-amino-2-oxo-1-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 67774475
2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]acetamide
CID 57343816
2-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid
CID 67774351
2-[1-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
CID 67776215
4-[2,2-dihydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
CID 143208558
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870
2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 57344307
2-[1-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 11656398

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 57344319) is 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is ZICUWIUSJHBWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O2/c29-20-4-3-5-22(16-20)33-28(36)34-14-12-19(13-15-34)26(27(30)35)32-21-10-8-18(9-11-21)24-17-31-25-7-2-1-6-23(24)25/h1-7,16-19,21,26,31-32H,8-15H2,(H2,30,35)(H,33,36).
What are the key properties of 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 4.72, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 57344319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).