1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea

C11H22N4O — CID 117234763

IUPAC1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(NC(=O)NCC2CNC2)C1
InChIInChI=1S/C11H22N4O/c1-15-4-2-3-10(8-15)14-11(16)13-7-9-5-12-6-9/h9-10,12H,2-8H2,1H3,(H2,13,14,16)
InChIKeyPQROLQCIFOMPCE-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.40
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea

1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea (PubChem CID 117234763) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
PubChem CID117234763
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(NC(=O)NCC2CNC2)C1
InChIInChI=1S/C11H22N4O/c1-15-4-2-3-10(8-15)14-11(16)13-7-9-5-12-6-9/h9-10,12H,2-8H2,1H3,(H2,13,14,16)
InChIKeyPQROLQCIFOMPCE-UHFFFAOYSA-N
XLogP-0.40
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
CID 61223451
1-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 124839812
1-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 95140290
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 124839917
1-(azetidin-3-yl)-3-[(1,1-dioxothian-3-yl)methyl]urea
CID 117235143

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea?
The IUPAC name of 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea (CID 117234763) is 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea is CN1CCCC(NC(=O)NCC2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea?
The InChIKey is PQROLQCIFOMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15-4-2-3-10(8-15)14-11(16)13-7-9-5-12-6-9/h9-10,12H,2-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea?
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea has a molecular weight of 226.32 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea is sourced from PubChem (CID 117234763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).