3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea

C14H29N3O — CID 106630009

IUPAC3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
SMILESCCCCNC(=O)N(CCC)CC1CCCNC1
InChIInChI=1S/C14H29N3O/c1-3-5-9-16-14(18)17(10-4-2)12-13-7-6-8-15-11-13/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyLRDJENNFYVMIEU-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.21
Rot. Bonds7

About 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea

3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea (PubChem CID 106630009) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
PubChem CID106630009
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
SMILESCCCCNC(=O)N(CCC)CC1CCCNC1
InChIInChI=1S/C14H29N3O/c1-3-5-9-16-14(18)17(10-4-2)12-13-7-6-8-15-11-13/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyLRDJENNFYVMIEU-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
CID 106628333
N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636505
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
CID 106636555
2-[(2-methylpropan-2-yl)oxy]-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628164
N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640908
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea?
The IUPAC name of 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea (CID 106630009) is 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea?
The canonical SMILES for 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea is CCCCNC(=O)N(CCC)CC1CCCNC1.
What is the InChIKey of 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea?
The InChIKey is LRDJENNFYVMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-5-9-16-14(18)17(10-4-2)12-13-7-6-8-15-11-13/h13,15H,3-12H2,1-2H3,(H,16,18).
What are the key properties of 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea?
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea has a molecular weight of 255.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea is sourced from PubChem (CID 106630009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).