1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea

C13H26N4O — CID 117235868

IUPAC1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCCN1CCCCC1)NCC1CCCN1
InChIInChI=1S/C13H26N4O/c18-13(16-11-12-5-4-6-14-12)15-7-10-17-8-2-1-3-9-17/h12,14H,1-11H2,(H2,15,16,18)
InChIKeyGMQGZKILRSEUHC-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.52
Rot. Bonds5

About 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea

1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 117235868) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID117235868
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCCN1CCCCC1)NCC1CCCN1
InChIInChI=1S/C13H26N4O/c18-13(16-11-12-5-4-6-14-12)15-7-10-17-8-2-1-3-9-17/h12,14H,1-11H2,(H2,15,16,18)
InChIKeyGMQGZKILRSEUHC-UHFFFAOYSA-N
XLogP0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
CID 117235828
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235876
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea
CID 117235872
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234833
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea (CID 117235868) is 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea is O=C(NCCN1CCCCC1)NCC1CCCN1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is GMQGZKILRSEUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c18-13(16-11-12-5-4-6-14-12)15-7-10-17-8-2-1-3-9-17/h12,14H,1-11H2,(H2,15,16,18).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea?
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 254.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 117235868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).