1-piperidin-4-yl-3-pyrrolidin-2-ylurea

C10H20N4O — CID 117234807

IUPAC1-piperidin-4-yl-3-pyrrolidin-2-ylurea
SMILESO=C(NC1CCNCC1)NC1CCCN1
InChIInChI=1S/C10H20N4O/c15-10(14-9-2-1-5-12-9)13-8-3-6-11-7-4-8/h8-9,11-12H,1-7H2,(H2,13,14,15)
InChIKeyDEYZEUYUZYRJEC-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.25
Rot. Bonds2

About 1-piperidin-4-yl-3-pyrrolidin-2-ylurea

1-piperidin-4-yl-3-pyrrolidin-2-ylurea (PubChem CID 117234807) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-pyrrolidin-2-ylurea.

Molecular Properties

Compound Name1-piperidin-4-yl-3-pyrrolidin-2-ylurea
PubChem CID117234807
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-piperidin-4-yl-3-pyrrolidin-2-ylurea
SMILESO=C(NC1CCNCC1)NC1CCCN1
InChIInChI=1S/C10H20N4O/c15-10(14-9-2-1-5-12-9)13-8-3-6-11-7-4-8/h8-9,11-12H,1-7H2,(H2,13,14,15)
InChIKeyDEYZEUYUZYRJEC-UHFFFAOYSA-N
XLogP-0.25
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
1-methyl-3-piperidin-4-ylurea
CID 18759970
N-piperidin-4-ylcycloheptanecarboxamide
CID 62587546
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-piperidin-4-yl-3-(trifluoromethyl)urea
CID 174597636
1-(dimethylamino)-3-piperidin-4-ylurea
CID 174543793

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-pyrrolidin-2-ylurea?
The IUPAC name of 1-piperidin-4-yl-3-pyrrolidin-2-ylurea (CID 117234807) is 1-piperidin-4-yl-3-pyrrolidin-2-ylurea.
What is the SMILES notation for 1-piperidin-4-yl-3-pyrrolidin-2-ylurea?
The canonical SMILES for 1-piperidin-4-yl-3-pyrrolidin-2-ylurea is O=C(NC1CCNCC1)NC1CCCN1.
What is the InChIKey of 1-piperidin-4-yl-3-pyrrolidin-2-ylurea?
The InChIKey is DEYZEUYUZYRJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c15-10(14-9-2-1-5-12-9)13-8-3-6-11-7-4-8/h8-9,11-12H,1-7H2,(H2,13,14,15).
What are the key properties of 1-piperidin-4-yl-3-pyrrolidin-2-ylurea?
1-piperidin-4-yl-3-pyrrolidin-2-ylurea has a molecular weight of 212.30 g/mol, XLogP of -0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-pyrrolidin-2-ylurea is sourced from PubChem (CID 117234807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).