[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone

C21H24N4O — CID 51097128

IUPAC[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)ccn1
InChIInChI=1S/C21H24N4O/c1-24(2)20-14-17(7-10-22-20)21(26)25-11-8-15(9-12-25)19-13-16-5-3-4-6-18(16)23-19/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3
InChIKeyOKTWSQRYZHUXEQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.65
Rot. Bonds3

About [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone

[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 51097128) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID51097128
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)ccn1
InChIInChI=1S/C21H24N4O/c1-24(2)20-14-17(7-10-22-20)21(26)25-11-8-15(9-12-25)19-13-16-5-3-4-6-18(16)23-19/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3
InChIKeyOKTWSQRYZHUXEQ-UHFFFAOYSA-N
XLogP3.65
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
2-[4-(1H-indol-2-yl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 155947044
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone (CID 51097128) is [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone is CN(C)c1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)ccn1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OKTWSQRYZHUXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)20-14-17(7-10-22-20)21(26)25-11-8-15(9-12-25)19-13-16-5-3-4-6-18(16)23-19/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51097128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).