(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone

C21H32N4O3 — CID 95226251

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC[C@H]2CCCOC2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H32N4O3/c26-21(25-7-5-19(6-8-25)24-9-12-27-13-10-24)18-3-4-20(23-15-18)22-14-17-2-1-11-28-16-17/h3-4,15,17,19H,1-2,5-14,16H2,(H,22,23)/t17-/m1/s1
InChIKeyXIHIXKLJJTZQBV-QGZVFWFLSA-N
MW388.51 g/mol
LogP1.86
Rot. Bonds5

About (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone

(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone (PubChem CID 95226251) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
PubChem CID95226251
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC[C@H]2CCCOC2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H32N4O3/c26-21(25-7-5-19(6-8-25)24-9-12-27-13-10-24)18-3-4-20(23-15-18)22-14-17-2-1-11-28-16-17/h3-4,15,17,19H,1-2,5-14,16H2,(H,22,23)/t17-/m1/s1
InChIKeyXIHIXKLJJTZQBV-QGZVFWFLSA-N
XLogP1.86
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56744422
[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
[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
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
CID 122562773
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
pyrrolidin-1-yl-[6-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylamino]-3-pyridinyl]methanone
CID 97189759

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone (CID 95226251) is (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone is O=C(c1ccc(NC[C@H]2CCCOC2)nc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone?
The InChIKey is XIHIXKLJJTZQBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N4O3/c26-21(25-7-5-19(6-8-25)24-9-12-27-13-10-24)18-3-4-20(23-15-18)22-14-17-2-1-11-28-16-17/h3-4,15,17,19H,1-2,5-14,16H2,(H,22,23)/t17-/m1/s1.
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone?
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone has a molecular weight of 388.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 95226251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).