[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C21H32N4O3 — CID 56744422

IUPAC[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(N[C@H]2CCCC[C@@H]2O)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H32N4O3/c26-19-4-2-1-3-18(19)23-20-6-5-16(15-22-20)21(27)25-9-7-17(8-10-25)24-11-13-28-14-12-24/h5-6,15,17-19,26H,1-4,7-14H2,(H,22,23)/t18-,19-/m0/s1
InChIKeyKATFTAWYRHQAIT-OALUTQOASA-N
MW388.51 g/mol
LogP1.73
Rot. Bonds4

About [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 56744422) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID56744422
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(N[C@H]2CCCC[C@@H]2O)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H32N4O3/c26-19-4-2-1-3-18(19)23-20-6-5-16(15-22-20)21(27)25-9-7-17(8-10-25)24-11-13-28-14-12-24/h5-6,15,17-19,26H,1-4,7-14H2,(H,22,23)/t18-,19-/m0/s1
InChIKeyKATFTAWYRHQAIT-OALUTQOASA-N
XLogP1.73
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 95226446
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
CID 95217183
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
CID 95226251
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
[6-(1-methoxybutan-2-ylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742699
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133376286

Frequently Asked Questions

What is the IUPAC name of [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 56744422) is [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(N[C@H]2CCCC[C@@H]2O)nc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is KATFTAWYRHQAIT-OALUTQOASA-N. The full InChI is InChI=1S/C21H32N4O3/c26-19-4-2-1-3-18(19)23-20-6-5-16(15-22-20)21(27)25-9-7-17(8-10-25)24-11-13-28-14-12-24/h5-6,15,17-19,26H,1-4,7-14H2,(H,22,23)/t18-,19-/m0/s1.
What are the key properties of [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 388.51 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56744422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).