[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H30N4O4 — CID 56874083

IUPAC[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(O)cn1)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C21H30N4O4/c26-18-3-4-19(22-14-18)21(28)23-8-5-17(6-9-23)25-7-1-2-16(15-25)20(27)24-10-12-29-13-11-24/h3-4,14,16-17,26H,1-2,5-13,15H2
InChIKeyGNMFXRQCEOOANI-UHFFFAOYSA-N
MW402.50 g/mol
LogP0.96
Rot. Bonds3

About [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56874083) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56874083
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(O)cn1)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C21H30N4O4/c26-18-3-4-19(22-14-18)21(28)23-8-5-17(6-9-23)25-7-1-2-16(15-25)20(27)24-10-12-29-13-11-24/h3-4,14,16-17,26H,1-2,5-13,15H2
InChIKeyGNMFXRQCEOOANI-UHFFFAOYSA-N
XLogP0.96
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 23589141
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione
CID 95554931
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[(3R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463751
[(3S)-1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95557506

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56874083) is [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(c1ccc(O)cn1)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GNMFXRQCEOOANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c26-18-3-4-19(22-14-18)21(28)23-8-5-17(6-9-23)25-7-1-2-16(15-25)20(27)24-10-12-29-13-11-24/h3-4,14,16-17,26H,1-2,5-13,15H2.
What are the key properties of [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56874083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).