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

C22H33ClN4O2 — CID 133376285

IUPAC[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NC2CCN(C3CCCCC3O)CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C22H33ClN4O2/c23-18-14-16(22(29)27-10-4-1-5-11-27)15-24-21(18)25-17-8-12-26(13-9-17)19-6-2-3-7-20(19)28/h14-15,17,19-20,28H,1-13H2,(H,24,25)
InChIKeyXJFHKXIENWPLOH-UHFFFAOYSA-N
MW420.99 g/mol
LogP3.54
Rot. Bonds4

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

[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133376285) has the molecular formula C22H33ClN4O2 and a molecular weight of 420.99 g/mol. Its IUPAC name is [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133376285
Molecular FormulaC22H33ClN4O2
Molecular Weight420.99 g/mol
Exact Mass420.23
IUPAC Name[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NC2CCN(C3CCCCC3O)CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C22H33ClN4O2/c23-18-14-16(22(29)27-10-4-1-5-11-27)15-24-21(18)25-17-8-12-26(13-9-17)19-6-2-3-7-20(19)28/h14-15,17,19-20,28H,1-13H2,(H,24,25)
InChIKeyXJFHKXIENWPLOH-UHFFFAOYSA-N
XLogP3.54
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[1-(2-hydroxycyclohexyl)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-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
[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
[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496446
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133376286
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[5-chloro-6-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 71888262
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133376285) is [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NC2CCN(C3CCCCC3O)CC2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is XJFHKXIENWPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O2/c23-18-14-16(22(29)27-10-4-1-5-11-27)15-24-21(18)25-17-8-12-26(13-9-17)19-6-2-3-7-20(19)28/h14-15,17,19-20,28H,1-13H2,(H,24,25).
What are the key properties of [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 420.99 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133376285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).