ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate

C12H17ClN4O2 — CID 15124700

IUPACethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-2-19-12(18)14-9-5-7-17(8-6-9)11-4-3-10(13)15-16-11/h3-4,9H,2,5-8H2,1H3,(H,14,18)
InChIKeyKCAXGVOVPRGHHB-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.84
Rot. Bonds3

About ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate

ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate (PubChem CID 15124700) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
PubChem CID15124700
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Nameethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-2-19-12(18)14-9-5-7-17(8-6-9)11-4-3-10(13)15-16-11/h3-4,9H,2,5-8H2,1H3,(H,14,18)
InChIKeyKCAXGVOVPRGHHB-UHFFFAOYSA-N
XLogP1.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-piperidin-4-ylcarbamate;[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamic acid
CID 87793274
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
CID 14989326
(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97278500
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
CID 59303878
CID 59303878
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 72910701
3,6-dichloropyridazine;ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate;ethyl 2-piperazin-1-ylacetate
CID 158361391
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 100906673
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate (CID 15124700) is ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate?
The InChIKey is KCAXGVOVPRGHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-2-19-12(18)14-9-5-7-17(8-6-9)11-4-3-10(13)15-16-11/h3-4,9H,2,5-8H2,1H3,(H,14,18).
What are the key properties of ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate?
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate has a molecular weight of 284.75 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 15124700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).