1-methyl-3-piperidin-4-ylurea

C7H15N3O — CID 18759970

IUPAC1-methyl-3-piperidin-4-ylurea
SMILESCNC(=O)NC1CCNCC1
InChIInChI=1S/C7H15N3O/c1-8-7(11)10-6-2-4-9-5-3-6/h6,9H,2-5H2,1H3,(H2,8,10,11)
InChIKeyNGWNLUZOEYRHAX-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.33
Rot. Bonds1

About 1-methyl-3-piperidin-4-ylurea

1-methyl-3-piperidin-4-ylurea (PubChem CID 18759970) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-methyl-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-methyl-3-piperidin-4-ylurea
PubChem CID18759970
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-methyl-3-piperidin-4-ylurea
SMILESCNC(=O)NC1CCNCC1
InChIInChI=1S/C7H15N3O/c1-8-7(11)10-6-2-4-9-5-3-6/h6,9H,2-5H2,1H3,(H2,8,10,11)
InChIKeyNGWNLUZOEYRHAX-UHFFFAOYSA-N
XLogP-0.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
1-(dimethylamino)-3-piperidin-4-ylurea
CID 174543793
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
1-piperidin-4-yl-3-(trifluoromethyl)urea
CID 174597636
1-methyl-3-pyrazolidin-4-ylurea
CID 70272773
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
1-piperidin-4-yl-3-pyrrolidin-2-ylurea
CID 117234807
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-4-ylurea?
The IUPAC name of 1-methyl-3-piperidin-4-ylurea (CID 18759970) is 1-methyl-3-piperidin-4-ylurea.
What is the SMILES notation for 1-methyl-3-piperidin-4-ylurea?
The canonical SMILES for 1-methyl-3-piperidin-4-ylurea is CNC(=O)NC1CCNCC1.
What is the InChIKey of 1-methyl-3-piperidin-4-ylurea?
The InChIKey is NGWNLUZOEYRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-8-7(11)10-6-2-4-9-5-3-6/h6,9H,2-5H2,1H3,(H2,8,10,11).
What are the key properties of 1-methyl-3-piperidin-4-ylurea?
1-methyl-3-piperidin-4-ylurea has a molecular weight of 157.22 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-4-ylurea is sourced from PubChem (CID 18759970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).