2-(1-methylpiperidin-3-yl)ethylurea

C9H19N3O — CID 115168583

IUPAC2-(1-methylpiperidin-3-yl)ethylurea
SMILESCN1CCCC(CCNC(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-12-6-2-3-8(7-12)4-5-11-9(10)13/h8H,2-7H2,1H3,(H3,10,11,13)
InChIKeyDJVQWPMUCREODS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.39
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)ethylurea

2-(1-methylpiperidin-3-yl)ethylurea (PubChem CID 115168583) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)ethylurea.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)ethylurea
PubChem CID115168583
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(1-methylpiperidin-3-yl)ethylurea
SMILESCN1CCCC(CCNC(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-12-6-2-3-8(7-12)4-5-11-9(10)13/h8H,2-7H2,1H3,(H3,10,11,13)
InChIKeyDJVQWPMUCREODS-UHFFFAOYSA-N
XLogP0.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
ethyl 2-[2-(1-methylpiperidin-3-yl)ethylamino]-2-oxoacetate
CID 115142076
(E)-4-[2-(1-methylpiperidin-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177299
N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide
CID 115192169
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide
CID 56714335
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 95207648
N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159602
2-[(1-methylazepan-4-yl)amino]ethylurea
CID 83111293
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide
CID 95188582
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)ethylurea?
The IUPAC name of 2-(1-methylpiperidin-3-yl)ethylurea (CID 115168583) is 2-(1-methylpiperidin-3-yl)ethylurea.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)ethylurea?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)ethylurea is CN1CCCC(CCNC(N)=O)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)ethylurea?
The InChIKey is DJVQWPMUCREODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12-6-2-3-8(7-12)4-5-11-9(10)13/h8H,2-7H2,1H3,(H3,10,11,13).
What are the key properties of 2-(1-methylpiperidin-3-yl)ethylurea?
2-(1-methylpiperidin-3-yl)ethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)ethylurea is sourced from PubChem (CID 115168583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).