2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid

C18H23N3O5 — CID 95728578

IUPAC2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H23N3O5/c22-16(23)11-15-12-26-10-9-21(15)18(25)14-3-7-20(8-4-14)17(24)13-1-5-19-6-2-13/h1-2,5-6,14-15H,3-4,7-12H2,(H,22,23)/t15-/m1/s1
InChIKeyZSKGGRVRHWHKAB-OAHLLOKOSA-N
MW361.40 g/mol
LogP0.64
Rot. Bonds4

About 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid (PubChem CID 95728578) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
PubChem CID95728578
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H23N3O5/c22-16(23)11-15-12-26-10-9-21(15)18(25)14-3-7-20(8-4-14)17(24)13-1-5-19-6-2-13/h1-2,5-6,14-15H,3-4,7-12H2,(H,22,23)/t15-/m1/s1
InChIKeyZSKGGRVRHWHKAB-OAHLLOKOSA-N
XLogP0.64
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
CID 155998363
2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56909134
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid (CID 95728578) is 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid?
The InChIKey is ZSKGGRVRHWHKAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O5/c22-16(23)11-15-12-26-10-9-21(15)18(25)14-3-7-20(8-4-14)17(24)13-1-5-19-6-2-13/h1-2,5-6,14-15H,3-4,7-12H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid has a molecular weight of 361.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 95728578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).