2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

C15H30N4O2 — CID 63595188

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCC(C(C)N)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)4-7-17-15(21)18-14(20)10-19-8-5-13(6-9-19)12(3)16/h11-13H,4-10,16H2,1-3H3,(H2,17,18,20,21)
InChIKeyHILPDZJCVGEHJO-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.92
Rot. Bonds6

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 63595188) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID63595188
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCC(C(C)N)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)4-7-17-15(21)18-14(20)10-19-8-5-13(6-9-19)12(3)16/h11-13H,4-10,16H2,1-3H3,(H2,17,18,20,21)
InChIKeyHILPDZJCVGEHJO-UHFFFAOYSA-N
XLogP0.92
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
2-[1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684137
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62356143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (CID 63595188) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)CN1CCC(C(C)N)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is HILPDZJCVGEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11(2)4-7-17-15(21)18-14(20)10-19-8-5-13(6-9-19)12(3)16/h11-13H,4-10,16H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 63595188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).