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

C19H29N3 — CID 120904397

IUPAC1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
SMILESCC1(CN2CCC(N3CCc4ccccc43)CC2)CCNC1
InChIInChI=1S/C19H29N3/c1-19(9-10-20-14-19)15-21-11-7-17(8-12-21)22-13-6-16-4-2-3-5-18(16)22/h2-5,17,20H,6-15H2,1H3
InChIKeyHCIFUPBXXZPZQS-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.51
Rot. Bonds3

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

1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 120904397) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID120904397
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
SMILESCC1(CN2CCC(N3CCc4ccccc43)CC2)CCNC1
InChIInChI=1S/C19H29N3/c1-19(9-10-20-14-19)15-21-11-7-17(8-12-21)22-13-6-16-4-2-3-5-18(16)22/h2-5,17,20H,6-15H2,1H3
InChIKeyHCIFUPBXXZPZQS-UHFFFAOYSA-N
XLogP2.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline
CID 120902163
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285
4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 120902173
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 120897398
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole (CID 120904397) is 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole is CC1(CN2CCC(N3CCc4ccccc43)CC2)CCNC1.
What is the InChIKey of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is HCIFUPBXXZPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-19(9-10-20-14-19)15-21-11-7-17(8-12-21)22-13-6-16-4-2-3-5-18(16)22/h2-5,17,20H,6-15H2,1H3.
What are the key properties of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole?
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 299.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 120904397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).