[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C23H30F2N4O — CID 25221839

IUPAC[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(N(CC3CC3)C3CCNCC3)ccc2[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H30F2N4O/c24-23(25)7-11-28(12-8-23)22(30)21-14-17-13-19(3-4-20(17)27-21)29(15-16-1-2-16)18-5-9-26-10-6-18/h3-4,13-14,16,18,26-27H,1-2,5-12,15H2
InChIKeyKGXPYLAZZQHKEY-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.01
Rot. Bonds5

About [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 25221839) has the molecular formula C23H30F2N4O and a molecular weight of 416.52 g/mol. Its IUPAC name is [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID25221839
Molecular FormulaC23H30F2N4O
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(N(CC3CC3)C3CCNCC3)ccc2[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H30F2N4O/c24-23(25)7-11-28(12-8-23)22(30)21-14-17-13-19(3-4-20(17)27-21)29(15-16-1-2-16)18-5-9-26-10-6-18/h3-4,13-14,16,18,26-27H,1-2,5-12,15H2
InChIKeyKGXPYLAZZQHKEY-UHFFFAOYSA-N
XLogP4.01
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 69282953
(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
CID 69283237
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
CID 69282983
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 56886344
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175453

Frequently Asked Questions

What is the IUPAC name of [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 25221839) is [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1cc2cc(N(CC3CC3)C3CCNCC3)ccc2[nH]1)N1CCC(F)(F)CC1.
What is the InChIKey of [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is KGXPYLAZZQHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O/c24-23(25)7-11-28(12-8-23)22(30)21-14-17-13-19(3-4-20(17)27-21)29(15-16-1-2-16)18-5-9-26-10-6-18/h3-4,13-14,16,18,26-27H,1-2,5-12,15H2.
What are the key properties of [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 416.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 25221839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).