[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone

C23H27N3O — CID 166240989

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c1-17(24)19-11-13-25(14-12-19)23(27)21-16-26(15-18-7-3-2-4-8-18)22-10-6-5-9-20(21)22/h2-10,16-17,19H,11-15,24H2,1H3
InChIKeyLRLXLDKXFFSITI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.89
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone (PubChem CID 166240989) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
PubChem CID166240989
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c1-17(24)19-11-13-25(14-12-19)23(27)21-16-26(15-18-7-3-2-4-8-18)22-10-6-5-9-20(21)22/h2-10,16-17,19H,11-15,24H2,1H3
InChIKeyLRLXLDKXFFSITI-UHFFFAOYSA-N
XLogP3.89
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone (CID 166240989) is [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone is CC(N)C1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone?
The InChIKey is LRLXLDKXFFSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17(24)19-11-13-25(14-12-19)23(27)21-16-26(15-18-7-3-2-4-8-18)22-10-6-5-9-20(21)22/h2-10,16-17,19H,11-15,24H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone is sourced from PubChem (CID 166240989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).