1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea

C12H24N4O — CID 117234729

IUPAC1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
SMILESCN1CCCC(NC(=O)NC2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-16-8-2-3-11(9-16)15-12(17)14-10-4-6-13-7-5-10/h10-11,13H,2-9H2,1H3,(H2,14,15,17)
InChIKeyLUYIDGIWOHYDSN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.13
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea

1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea (PubChem CID 117234729) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
PubChem CID117234729
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
SMILESCN1CCCC(NC(=O)NC2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-16-8-2-3-11(9-16)15-12(17)14-10-4-6-13-7-5-10/h10-11,13H,2-9H2,1H3,(H2,14,15,17)
InChIKeyLUYIDGIWOHYDSN-UHFFFAOYSA-N
XLogP0.13
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.13
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
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817105
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
4-methyl-4-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 62049456
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-(1-methylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 61465348

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea (CID 117234729) is 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea is CN1CCCC(NC(=O)NC2CCNCC2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea?
The InChIKey is LUYIDGIWOHYDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-16-8-2-3-11(9-16)15-12(17)14-10-4-6-13-7-5-10/h10-11,13H,2-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea?
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea has a molecular weight of 240.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea is sourced from PubChem (CID 117234729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).