4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride

C23H31ClN4O2 — CID 110173853

IUPAC4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride
SMILESCC(CC(C(=O)N1CCCC1)(c1ccccn1)c1ccccn1)[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C23H30N4O2.ClH/c1-19(26-14-16-29-17-15-26)18-23(20-8-2-4-10-24-20,21-9-3-5-11-25-21)22(28)27-12-6-7-13-27;/h2-5,8-11,19H,6-7,12-18H2,1H3;1H
InChIKeyXBJCZYCMOHNQKQ-UHFFFAOYSA-N
MW430.98 g/mol
LogP-1.92
Rot. Bonds6

About 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride

4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride (PubChem CID 110173853) has the molecular formula C23H31ClN4O2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride.

Molecular Properties

Compound Name4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride
PubChem CID110173853
Molecular FormulaC23H31ClN4O2
Molecular Weight430.98 g/mol
Exact Mass430.21
IUPAC Name4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride
SMILESCC(CC(C(=O)N1CCCC1)(c1ccccn1)c1ccccn1)[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C23H30N4O2.ClH/c1-19(26-14-16-29-17-15-26)18-23(20-8-2-4-10-24-20,21-9-3-5-11-25-21)22(28)27-12-6-7-13-27;/h2-5,8-11,19H,6-7,12-18H2,1H3;1H
InChIKeyXBJCZYCMOHNQKQ-UHFFFAOYSA-N
XLogP-1.92
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride
CID 110173894
N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride
CID 110173845
2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
CID 110173895
2-(morpholin-4-ylmethyl)-2-pyridin-2-ylbutanamide
CID 129053349
lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride
CID 70103154
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
2-methyl-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-2-morpholin-4-ylpropan-1-one
CID 126815007
2-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropan-1-amine
CID 134789510
(3S)-2,2-bis(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one;(3S)-2-(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-2-phenyl-1-pyrrolidin-1-ylbutan-1-one
CID 159786107
1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396870
1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396900

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride?
The IUPAC name of 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride (CID 110173853) is 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride.
What is the SMILES notation for 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride?
The canonical SMILES for 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride is CC(CC(C(=O)N1CCCC1)(c1ccccn1)c1ccccn1)[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride?
The InChIKey is XBJCZYCMOHNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.ClH/c1-19(26-14-16-29-17-15-26)18-23(20-8-2-4-10-24-20,21-9-3-5-11-25-21)22(28)27-12-6-7-13-27;/h2-5,8-11,19H,6-7,12-18H2,1H3;1H.
What are the key properties of 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride?
4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride has a molecular weight of 430.98 g/mol, XLogP of -1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride is sourced from PubChem (CID 110173853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).