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

C13H26N4O — CID 117235098

IUPAC1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
SMILESO=C(NCC1CCCNC1)NCC1CCCCN1
InChIInChI=1S/C13H26N4O/c18-13(16-9-11-4-3-6-14-8-11)17-10-12-5-1-2-7-15-12/h11-12,14-15H,1-10H2,(H2,16,17,18)
InChIKeyOYPCJHKTFFVABA-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.43
Rot. Bonds4

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

1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea (PubChem CID 117235098) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
PubChem CID117235098
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
SMILESO=C(NCC1CCCNC1)NCC1CCCCN1
InChIInChI=1S/C13H26N4O/c18-13(16-9-11-4-3-6-14-8-11)17-10-12-5-1-2-7-15-12/h11-12,14-15H,1-10H2,(H2,16,17,18)
InChIKeyOYPCJHKTFFVABA-UHFFFAOYSA-N
XLogP0.43
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidin-2-ylmethyl)-3-(thian-4-ylmethyl)urea
CID 117234673
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea?
The IUPAC name of 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea (CID 117235098) is 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea?
The canonical SMILES for 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea is O=C(NCC1CCCNC1)NCC1CCCCN1.
What is the InChIKey of 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea?
The InChIKey is OYPCJHKTFFVABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c18-13(16-9-11-4-3-6-14-8-11)17-10-12-5-1-2-7-15-12/h11-12,14-15H,1-10H2,(H2,16,17,18).
What are the key properties of 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea?
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea has a molecular weight of 254.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea is sourced from PubChem (CID 117235098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).