(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C21H26ClN5O2 — CID 92889627

IUPAC(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C21H26ClN5O2/c22-18-5-1-3-16(13-18)14-23-21(28)17-4-2-8-27(15-17)20-7-6-19(24-25-20)26-9-11-29-12-10-26/h1,3,5-7,13,17H,2,4,8-12,14-15H2,(H,23,28)/t17-/m1/s1
InChIKeyGLGQLPHXRFLUBT-QGZVFWFLSA-N
MW415.93 g/mol
LogP2.50
Rot. Bonds5

About (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 92889627) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID92889627
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C21H26ClN5O2/c22-18-5-1-3-16(13-18)14-23-21(28)17-4-2-8-27(15-17)20-7-6-19(24-25-20)26-9-11-29-12-10-26/h1,3,5-7,13,17H,2,4,8-12,14-15H2,(H,23,28)/t17-/m1/s1
InChIKeyGLGQLPHXRFLUBT-QGZVFWFLSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785732
(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045
N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871
1-(6-morpholin-4-ylpyridazin-3-yl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46329050
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
(3R)-N-[(3-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 92703757
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
(3R)-1-(6-chloropyridazin-3-yl)-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]piperidine-3-carboxamide
CID 96558030
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026
N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392324

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 92889627) is (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1.
What is the InChIKey of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is GLGQLPHXRFLUBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c22-18-5-1-3-16(13-18)14-23-21(28)17-4-2-8-27(15-17)20-7-6-19(24-25-20)26-9-11-29-12-10-26/h1,3,5-7,13,17H,2,4,8-12,14-15H2,(H,23,28)/t17-/m1/s1.
What are the key properties of (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92889627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).