2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide

C15H30N4O2 — CID 106635938

IUPAC2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CCC)CC1CCCCN1
InChIInChI=1S/C15H30N4O2/c1-3-8-17-15(21)18-14(20)12-19(10-4-2)11-13-7-5-6-9-16-13/h13,16H,3-12H2,1-2H3,(H2,17,18,20,21)
InChIKeyYKKNJJNLEOIRDZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.08
Rot. Bonds8

About 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide

2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 106635938) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID106635938
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CCC)CC1CCCCN1
InChIInChI=1S/C15H30N4O2/c1-3-8-17-15(21)18-14(20)12-19(10-4-2)11-13-7-5-6-9-16-13/h13,16H,3-12H2,1-2H3,(H2,17,18,20,21)
InChIKeyYKKNJJNLEOIRDZ-UHFFFAOYSA-N
XLogP1.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636144
N-(2-methylbutan-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635885
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106631667
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-N-propylacetamide
CID 106632199
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 106618204
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635893

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide (CID 106635938) is 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(CCC)CC1CCCCN1.
What is the InChIKey of 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is YKKNJJNLEOIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-3-8-17-15(21)18-14(20)12-19(10-4-2)11-13-7-5-6-9-16-13/h13,16H,3-12H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide?
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 106635938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).