1-methyl-1-piperidin-4-yl-3-propylurea

C10H21N3O — CID 20569907

IUPAC1-methyl-1-piperidin-4-yl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCNCC1
InChIInChI=1S/C10H21N3O/c1-3-6-12-10(14)13(2)9-4-7-11-8-5-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyQYXJDGOCMKVUDO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds3

About 1-methyl-1-piperidin-4-yl-3-propylurea

1-methyl-1-piperidin-4-yl-3-propylurea (PubChem CID 20569907) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-1-piperidin-4-yl-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-piperidin-4-yl-3-propylurea
PubChem CID20569907
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-methyl-1-piperidin-4-yl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCNCC1
InChIInChI=1S/C10H21N3O/c1-3-6-12-10(14)13(2)9-4-7-11-8-5-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyQYXJDGOCMKVUDO-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
CID 119913381

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-piperidin-4-yl-3-propylurea?
The IUPAC name of 1-methyl-1-piperidin-4-yl-3-propylurea (CID 20569907) is 1-methyl-1-piperidin-4-yl-3-propylurea.
What is the SMILES notation for 1-methyl-1-piperidin-4-yl-3-propylurea?
The canonical SMILES for 1-methyl-1-piperidin-4-yl-3-propylurea is CCCNC(=O)N(C)C1CCNCC1.
What is the InChIKey of 1-methyl-1-piperidin-4-yl-3-propylurea?
The InChIKey is QYXJDGOCMKVUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-6-12-10(14)13(2)9-4-7-11-8-5-9/h9,11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 1-methyl-1-piperidin-4-yl-3-propylurea?
1-methyl-1-piperidin-4-yl-3-propylurea has a molecular weight of 199.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-piperidin-4-yl-3-propylurea is sourced from PubChem (CID 20569907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).