1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea

C14H26N4O — CID 120849812

IUPAC1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)NC1CCN(CC2CCCNC2)C1
InChIInChI=1S/C14H26N4O/c19-14(16-12-3-4-12)17-13-5-7-18(10-13)9-11-2-1-6-15-8-11/h11-13,15H,1-10H2,(H2,16,17,19)
InChIKeyDIEWXQJJAMIHJC-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.52
Rot. Bonds4

About 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea

1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea (PubChem CID 120849812) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
PubChem CID120849812
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)NC1CCN(CC2CCCNC2)C1
InChIInChI=1S/C14H26N4O/c19-14(16-12-3-4-12)17-13-5-7-18(10-13)9-11-2-1-6-15-8-11/h11-13,15H,1-10H2,(H2,16,17,19)
InChIKeyDIEWXQJJAMIHJC-UHFFFAOYSA-N
XLogP0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea (CID 120849812) is 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea is O=C(NC1CC1)NC1CCN(CC2CCCNC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
The InChIKey is DIEWXQJJAMIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c19-14(16-12-3-4-12)17-13-5-7-18(10-13)9-11-2-1-6-15-8-11/h11-13,15H,1-10H2,(H2,16,17,19).
What are the key properties of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea has a molecular weight of 266.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 120849812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).