1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea

C11H22ClN3O — CID 54286811

IUPAC1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(CCCCl)CC1
InChIInChI=1S/C11H22ClN3O/c1-2-13-11(16)14-10-4-8-15(9-5-10)7-3-6-12/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyRURNFJUGDQHICL-UHFFFAOYSA-N
MW247.77 g/mol
LogP1.40
Rot. Bonds5

About 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea

1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea (PubChem CID 54286811) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea
PubChem CID54286811
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(CCCCl)CC1
InChIInChI=1S/C11H22ClN3O/c1-2-13-11(16)14-10-4-8-15(9-5-10)7-3-6-12/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyRURNFJUGDQHICL-UHFFFAOYSA-N
XLogP1.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
CID 54204989
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea?
The IUPAC name of 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea (CID 54286811) is 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea is CCNC(=O)NC1CCN(CCCCl)CC1.
What is the InChIKey of 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea?
The InChIKey is RURNFJUGDQHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN3O/c1-2-13-11(16)14-10-4-8-15(9-5-10)7-3-6-12/h10H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea?
1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea has a molecular weight of 247.77 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea is sourced from PubChem (CID 54286811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).