2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone

C20H29N3O — CID 120899277

IUPAC2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
SMILESCC1(CN2CCC(C(=O)N3CCc4ccccc43)CC2)CCNC1
InChIInChI=1S/C20H29N3O/c1-20(9-10-21-14-20)15-22-11-6-17(7-12-22)19(24)23-13-8-16-4-2-3-5-18(16)23/h2-5,17,21H,6-15H2,1H3
InChIKeyVFERKVBWNIQGOC-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.29
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone (PubChem CID 120899277) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
PubChem CID120899277
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
SMILESCC1(CN2CCC(C(=O)N3CCc4ccccc43)CC2)CCNC1
InChIInChI=1S/C20H29N3O/c1-20(9-10-21-14-20)15-22-11-6-17(7-12-22)19(24)23-13-8-16-4-2-3-5-18(16)23/h2-5,17,21H,6-15H2,1H3
InChIKeyVFERKVBWNIQGOC-UHFFFAOYSA-N
XLogP2.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120898687
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891645
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone (CID 120899277) is 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone is CC1(CN2CCC(C(=O)N3CCc4ccccc43)CC2)CCNC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is VFERKVBWNIQGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-20(9-10-21-14-20)15-22-11-6-17(7-12-22)19(24)23-13-8-16-4-2-3-5-18(16)23/h2-5,17,21H,6-15H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 327.47 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 120899277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).