(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone

C23H29ClN4O2 — CID 124970912

IUPAC(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)ccn1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)22-15-17(7-8-25-22)19-4-3-9-28(16-19)23(29)18-5-6-20(24)21(14-18)27-10-12-30-13-11-27/h5-8,14-15,19H,3-4,9-13,16H2,1-2H3/t19-/m0/s1
InChIKeyJTJFOKSNUUPPGS-IBGZPJMESA-N
MW428.96 g/mol
LogP3.66
Rot. Bonds4

About (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone

(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone (PubChem CID 124970912) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
PubChem CID124970912
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)ccn1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)22-15-17(7-8-25-22)19-4-3-9-28(16-19)23(29)18-5-6-20(24)21(14-18)27-10-12-30-13-11-27/h5-8,14-15,19H,3-4,9-13,16H2,1-2H3/t19-/m0/s1
InChIKeyJTJFOKSNUUPPGS-IBGZPJMESA-N
XLogP3.66
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 152513618
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone
CID 110150806

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone (CID 124970912) is (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone is CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)ccn1.
What is the InChIKey of (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is JTJFOKSNUUPPGS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-26(2)22-15-17(7-8-25-22)19-4-3-9-28(16-19)23(29)18-5-6-20(24)21(14-18)27-10-12-30-13-11-27/h5-8,14-15,19H,3-4,9-13,16H2,1-2H3/t19-/m0/s1.
What are the key properties of (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone?
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 428.96 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124970912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).