[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C23H36N4O2 — CID 133376286

IUPAC[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(NC3CCN(C4CCCCC4O)CC3)nc2)CC1
InChIInChI=1S/C23H36N4O2/c1-17-8-12-27(13-9-17)23(29)18-6-7-22(24-16-18)25-19-10-14-26(15-11-19)20-4-2-3-5-21(20)28/h6-7,16-17,19-21,28H,2-5,8-15H2,1H3,(H,24,25)
InChIKeyZJNYTOPFTJIHAF-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.13
Rot. Bonds4

About [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 133376286) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID133376286
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(NC3CCN(C4CCCCC4O)CC3)nc2)CC1
InChIInChI=1S/C23H36N4O2/c1-17-8-12-27(13-9-17)23(29)18-6-7-22(24-16-18)25-19-10-14-26(15-11-19)20-4-2-3-5-21(20)28/h6-7,16-17,19-21,28H,2-5,8-15H2,1H3,(H,24,25)
InChIKeyZJNYTOPFTJIHAF-UHFFFAOYSA-N
XLogP3.13
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376514
[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56744422

Frequently Asked Questions

What is the IUPAC name of [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 133376286) is [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(NC3CCN(C4CCCCC4O)CC3)nc2)CC1.
What is the InChIKey of [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZJNYTOPFTJIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17-8-12-27(13-9-17)23(29)18-6-7-22(24-16-18)25-19-10-14-26(15-11-19)20-4-2-3-5-21(20)28/h6-7,16-17,19-21,28H,2-5,8-15H2,1H3,(H,24,25).
What are the key properties of [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 400.57 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 133376286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).