2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone

C19H27N3O — CID 71003335

IUPAC2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)Cc2ccc3ccn(C)c3c2)CC1
InChIInChI=1S/C19H27N3O/c1-3-9-20-17-7-11-22(12-8-17)19(23)14-15-4-5-16-6-10-21(2)18(16)13-15/h4-6,10,13,17,20H,3,7-9,11-12,14H2,1-2H3
InChIKeySOCLGOXNRHICQI-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone

2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone (PubChem CID 71003335) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
PubChem CID71003335
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)Cc2ccc3ccn(C)c3c2)CC1
InChIInChI=1S/C19H27N3O/c1-3-9-20-17-7-11-22(12-8-17)19(23)14-15-4-5-16-6-10-21(2)18(16)13-15/h4-6,10,13,17,20H,3,7-9,11-12,14H2,1-2H3
InChIKeySOCLGOXNRHICQI-UHFFFAOYSA-N
XLogP2.71
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylindol-6-yl)acetic acid
CID 77230193
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110820802
2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
CID 170861389
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
4-(propylamino)piperidine-1-carbothioic S-acid
CID 143221289
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
2-(3-bromo-4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 176515965

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone (CID 71003335) is 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone is CCCNC1CCN(C(=O)Cc2ccc3ccn(C)c3c2)CC1.
What is the InChIKey of 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The InChIKey is SOCLGOXNRHICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-9-20-17-7-11-22(12-8-17)19(23)14-15-4-5-16-6-10-21(2)18(16)13-15/h4-6,10,13,17,20H,3,7-9,11-12,14H2,1-2H3.
What are the key properties of 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone has a molecular weight of 313.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-6-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 71003335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).