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

C14H28N4O — CID 117235876

IUPAC1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
SMILESO=C(NCCN1CCCCC1)NCC1CCCNC1
InChIInChI=1S/C14H28N4O/c19-14(17-12-13-5-4-6-15-11-13)16-7-10-18-8-2-1-3-9-18/h13,15H,1-12H2,(H2,16,17,19)
InChIKeyRHVCJVQGBWOYIF-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.77
Rot. Bonds5

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

1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea (PubChem CID 117235876) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
PubChem CID117235876
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
SMILESO=C(NCCN1CCCCC1)NCC1CCCNC1
InChIInChI=1S/C14H28N4O/c19-14(17-12-13-5-4-6-15-11-13)16-7-10-18-8-2-1-3-9-18/h13,15H,1-12H2,(H2,16,17,19)
InChIKeyRHVCJVQGBWOYIF-UHFFFAOYSA-N
XLogP0.77
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea
CID 117235872
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
1-(azetidin-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea
CID 117235873
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea (CID 117235876) is 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea is O=C(NCCN1CCCCC1)NCC1CCCNC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea?
The InChIKey is RHVCJVQGBWOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c19-14(17-12-13-5-4-6-15-11-13)16-7-10-18-8-2-1-3-9-18/h13,15H,1-12H2,(H2,16,17,19).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea?
1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea has a molecular weight of 268.40 g/mol, XLogP of 0.77, 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-(piperidin-3-ylmethyl)urea is sourced from PubChem (CID 117235876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).