[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H32ClN5O — CID 133270949

IUPAC[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCN(C)CCN1CCC(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)CC1
InChIInChI=1S/C20H32ClN5O/c1-24(2)12-13-25-10-6-17(7-11-25)23-19-18(21)14-16(15-22-19)20(27)26-8-4-3-5-9-26/h14-15,17H,3-13H2,1-2H3,(H,22,23)
InChIKeyNBXPOBPQIKMWFO-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.80
Rot. Bonds6

About [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270949) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270949
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC Name[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCN(C)CCN1CCC(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)CC1
InChIInChI=1S/C20H32ClN5O/c1-24(2)12-13-25-10-6-17(7-11-25)23-19-18(21)14-16(15-22-19)20(27)26-8-4-3-5-9-26/h14-15,17H,3-13H2,1-2H3,(H,22,23)
InChIKeyNBXPOBPQIKMWFO-UHFFFAOYSA-N
XLogP2.80
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133277623
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496446
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166
5-bromo-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-3-methylpyridin-2-amine
CID 133373826
(6-chloro-3-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60712392
[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585261

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270949) is [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is CN(C)CCN1CCC(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)CC1.
What is the InChIKey of [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is NBXPOBPQIKMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5O/c1-24(2)12-13-25-10-6-17(7-11-25)23-19-18(21)14-16(15-22-19)20(27)26-8-4-3-5-9-26/h14-15,17H,3-13H2,1-2H3,(H,22,23).
What are the key properties of [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 393.96 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).