1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole

C20H29N3 — CID 99938175

IUPAC1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
SMILESCCn1ccc2cc(CN3CC[C@@H](N4CCCCC4)C3)ccc21
InChIInChI=1S/C20H29N3/c1-2-22-13-8-18-14-17(6-7-20(18)22)15-21-12-9-19(16-21)23-10-4-3-5-11-23/h6-8,13-14,19H,2-5,9-12,15-16H2,1H3/t19-/m1/s1
InChIKeyBDDJRXQZDZGRGQ-LJQANCHMSA-N
MW311.47 g/mol
LogP3.72
Rot. Bonds4

About 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole

1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole (PubChem CID 99938175) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
PubChem CID99938175
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
SMILESCCn1ccc2cc(CN3CC[C@@H](N4CCCCC4)C3)ccc21
InChIInChI=1S/C20H29N3/c1-2-22-13-8-18-14-17(6-7-20(18)22)15-21-12-9-19(16-21)23-10-4-3-5-11-23/h6-8,13-14,19H,2-5,9-12,15-16H2,1H3/t19-/m1/s1
InChIKeyBDDJRXQZDZGRGQ-LJQANCHMSA-N
XLogP3.72
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole
CID 162633591
1-[1-[(3-chloro-4-ethoxyphenyl)methyl]pyrrolidin-3-yl]piperidine
CID 77095203
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
2-bromo-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 115557190
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
1-[(4-bromo-3-nitrophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 115557768
2-fluoro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 107880814
2-methoxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 106788215
(3S,4S)-3-benzyl-1-[(1-ethylindol-5-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135098096
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
The IUPAC name of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole (CID 99938175) is 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole.
What is the SMILES notation for 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
The canonical SMILES for 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole is CCn1ccc2cc(CN3CC[C@@H](N4CCCCC4)C3)ccc21.
What is the InChIKey of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
The InChIKey is BDDJRXQZDZGRGQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N3/c1-2-22-13-8-18-14-17(6-7-20(18)22)15-21-12-9-19(16-21)23-10-4-3-5-11-23/h6-8,13-14,19H,2-5,9-12,15-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole has a molecular weight of 311.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole is sourced from PubChem (CID 99938175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).