1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea

C12H18N4O — CID 117235935

IUPAC1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
SMILESO=C(NCC1CCCNC1)Nc1ccncc1
InChIInChI=1S/C12H18N4O/c17-12(16-11-3-6-13-7-4-11)15-9-10-2-1-5-14-8-10/h3-4,6-7,10,14H,1-2,5,8-9H2,(H2,13,15,16,17)
InChIKeyMGWUEJCOKZUVKB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds3

About 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea

1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea (PubChem CID 117235935) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
PubChem CID117235935
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
SMILESO=C(NCC1CCCNC1)Nc1ccncc1
InChIInChI=1S/C12H18N4O/c17-12(16-11-3-6-13-7-4-11)15-9-10-2-1-5-14-8-10/h3-4,6-7,10,14H,1-2,5,8-9H2,(H2,13,15,16,17)
InChIKeyMGWUEJCOKZUVKB-UHFFFAOYSA-N
XLogP1.20
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
1-(2,6-difluorophenyl)-3-(piperidin-3-ylmethyl)urea;hydrochloride
CID 165430548
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea
CID 128753845
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
CID 117235346

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea (CID 117235935) is 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea is O=C(NCC1CCCNC1)Nc1ccncc1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea?
The InChIKey is MGWUEJCOKZUVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(16-11-3-6-13-7-4-11)15-9-10-2-1-5-14-8-10/h3-4,6-7,10,14H,1-2,5,8-9H2,(H2,13,15,16,17).
What are the key properties of 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea?
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea has a molecular weight of 234.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 117235935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).