N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide

C24H28F3N3O — CID 170331152

IUPACN-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)[C@@H](c1ccc(NC2Cc3ccccc3C2)cc1)C(F)(F)F
InChIInChI=1S/C24H28F3N3O/c1-30(23(31)17-10-12-28-13-11-17)22(24(25,26)27)16-6-8-20(9-7-16)29-21-14-18-4-2-3-5-19(18)15-21/h2-9,17,21-22,28-29H,10-15H2,1H3/t22-/m0/s1
InChIKeyQJYFZJWPVZNFPB-QFIPXVFZSA-N
MW431.50 g/mol
LogP4.33
Rot. Bonds5

About N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide

N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 170331152) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide
PubChem CID170331152
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC NameN-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)[C@@H](c1ccc(NC2Cc3ccccc3C2)cc1)C(F)(F)F
InChIInChI=1S/C24H28F3N3O/c1-30(23(31)17-10-12-28-13-11-17)22(24(25,26)27)16-6-8-20(9-7-16)29-21-14-18-4-2-3-5-19(18)15-21/h2-9,17,21-22,28-29H,10-15H2,1H3/t22-/m0/s1
InChIKeyQJYFZJWPVZNFPB-QFIPXVFZSA-N
XLogP4.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 170576065
N-[(1S)-1-[4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylthiane-4-carboxamide
CID 170330714
N-[1-[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 170331318
[1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-methylcarbamic acid
CID 170331527
azetidin-3-yl N-[1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylcarbamate
CID 170331571
N-[(1S)-1-[5-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 170331641
N-methyl-1,1-dioxo-N-[2,2,2-trifluoro-1-[5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]ethyl]thiane-4-carboxamide
CID 170331262
N-[(1S)-1-[6-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 170331422
N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methylthiane-4-carboxamide
CID 170331181
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
N-(2,3-dihydro-1H-inden-2-yl)piperidine-4-carboxamide
CID 68885469
N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylthian-1-ium-4-carboxamide
CID 176658829

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide (CID 170331152) is N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCNCC1)[C@@H](c1ccc(NC2Cc3ccccc3C2)cc1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QJYFZJWPVZNFPB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28F3N3O/c1-30(23(31)17-10-12-28-13-11-17)22(24(25,26)27)16-6-8-20(9-7-16)29-21-14-18-4-2-3-5-19(18)15-21/h2-9,17,21-22,28-29H,10-15H2,1H3/t22-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?
N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2,3-dihydro-1H-inden-2-ylamino)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 170331152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).