1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea

C9H19N3O — CID 115168460

IUPAC1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CN(C)C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-11-5-3-4-8(6-11)7-12(2)9(10)13/h8H,3-7H2,1-2H3,(H2,10,13)
InChIKeyYGQOVFSDTPXXNI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.34
Rot. Bonds2

About 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea

1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea (PubChem CID 115168460) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
PubChem CID115168460
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CN(C)C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-11-5-3-4-8(6-11)7-12(2)9(10)13/h8H,3-7H2,1-2H3,(H2,10,13)
InChIKeyYGQOVFSDTPXXNI-UHFFFAOYSA-N
XLogP0.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-1-methylurea
CID 62860439
2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 170730006
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588
2-amino-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pentanamide
CID 119855609
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119855559
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115188639
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea (CID 115168460) is 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea is CN1CCCC(CN(C)C(N)=O)C1.
What is the InChIKey of 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
The InChIKey is YGQOVFSDTPXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-5-3-4-8(6-11)7-12(2)9(10)13/h8H,3-7H2,1-2H3,(H2,10,13).
What are the key properties of 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea?
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 115168460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).