N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide

C19H28N4O4 — CID 155492711

IUPACN-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H28N4O4/c1-15(24)21-6-4-18(25)23-9-12-27-17(14-22-7-10-26-11-8-22)19(23)16-3-2-5-20-13-16/h2-3,5,13,17,19H,4,6-12,14H2,1H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyOPCGXHYLPXFZEF-HKUYNNGSSA-N
MW376.46 g/mol
LogP0.21
Rot. Bonds6

About N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide

N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide (PubChem CID 155492711) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
PubChem CID155492711
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H28N4O4/c1-15(24)21-6-4-18(25)23-9-12-27-17(14-22-7-10-26-11-8-22)19(23)16-3-2-5-20-13-16/h2-3,5,13,17,19H,4,6-12,14H2,1H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyOPCGXHYLPXFZEF-HKUYNNGSSA-N
XLogP0.21
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide with MolForge

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Related Compounds

2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155503401
(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 155503656
(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504237
2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155505758
(4-hydroxy-2-methylphenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155491360
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155497123
6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155510191
1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504219
[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 155501269
(2S,3S)-N-methyl-2-(morpholin-4-ylmethyl)-N-propan-2-yl-3-pyridin-3-ylmorpholine-4-sulfonamide
CID 155494427
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
CID 155504432

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide (CID 155492711) is N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1.
What is the InChIKey of N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide?
The InChIKey is OPCGXHYLPXFZEF-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-15(24)21-6-4-18(25)23-9-12-27-17(14-22-7-10-26-11-8-22)19(23)16-3-2-5-20-13-16/h2-3,5,13,17,19H,4,6-12,14H2,1H3,(H,21,24)/t17-,19-/m0/s1.
What are the key properties of N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide?
N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 155492711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).