N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

C22H29N5O2 — CID 172881823

IUPACN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(CC(=O)N3CCc4ccccc43)CC2)nn1C
InChIInChI=1S/C22H29N5O2/c1-16-14-19(23-25(16)3)22(29)24(2)18-9-11-26(12-10-18)15-21(28)27-13-8-17-6-4-5-7-20(17)27/h4-7,14,18H,8-13,15H2,1-3H3
InChIKeyBKRNNBMGNLDNTC-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.85
Rot. Bonds4

About N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172881823) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172881823
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(CC(=O)N3CCc4ccccc43)CC2)nn1C
InChIInChI=1S/C22H29N5O2/c1-16-14-19(23-25(16)3)22(29)24(2)18-9-11-26(12-10-18)15-21(28)27-13-8-17-6-4-5-7-20(17)27/h4-7,14,18H,8-13,15H2,1-3H3
InChIKeyBKRNNBMGNLDNTC-UHFFFAOYSA-N
XLogP1.85
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650634
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933852
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112810627
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933857
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,3-dimethylpyrazolo[4,3-d]pyrimidin-7-one
CID 39890764
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 171327367
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172881823) is N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(CC(=O)N3CCc4ccccc43)CC2)nn1C.
What is the InChIKey of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is BKRNNBMGNLDNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-14-19(23-25(16)3)22(29)24(2)18-9-11-26(12-10-18)15-21(28)27-13-8-17-6-4-5-7-20(17)27/h4-7,14,18H,8-13,15H2,1-3H3.
What are the key properties of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172881823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).