1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

C21H27ClN4O2 — CID 51950120

IUPAC1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C21H27ClN4O2/c1-14(2)28-18-6-4-5-17(13-18)15(3)23-21(27)16-9-11-26(12-10-16)20-8-7-19(22)24-25-20/h4-8,13-16H,9-12H2,1-3H3,(H,23,27)/t15-/m0/s1
InChIKeyHEUIRUBLUHDGIY-HNNXBMFYSA-N
MW402.93 g/mol
LogP4.01
Rot. Bonds6

About 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 51950120) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID51950120
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C21H27ClN4O2/c1-14(2)28-18-6-4-5-17(13-18)15(3)23-21(27)16-9-11-26(12-10-16)20-8-7-19(22)24-25-20/h4-8,13-16H,9-12H2,1-3H3,(H,23,27)/t15-/m0/s1
InChIKeyHEUIRUBLUHDGIY-HNNXBMFYSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 100906673
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3R)-1-N-propan-2-yl-3-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950152
(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950150
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071643
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 46568702
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95069057
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (CID 51950120) is 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is CC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is HEUIRUBLUHDGIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c1-14(2)28-18-6-4-5-17(13-18)15(3)23-21(27)16-9-11-26(12-10-16)20-8-7-19(22)24-25-20/h4-8,13-16H,9-12H2,1-3H3,(H,23,27)/t15-/m0/s1.
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 51950120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).