N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide

C13H27N3O — CID 55245115

IUPACN-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
SMILESCCCCNC(=O)CN(CC)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-3-5-9-15-13(17)11-16(4-2)12-7-6-8-14-10-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyWVQZWGRVYUGUCL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds7

About N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide

N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide (PubChem CID 55245115) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
PubChem CID55245115
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
SMILESCCCCNC(=O)CN(CC)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-3-5-9-15-13(17)11-16(4-2)12-7-6-8-14-10-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyWVQZWGRVYUGUCL-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518
N-ethyl-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63638025
N-(cyclopropylmethyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 55245887
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
2-[ethyl(piperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63637463
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
2-[ethyl(pyrrolidin-3-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 63299858
N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide
CID 63637829

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide (CID 55245115) is N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide is CCCCNC(=O)CN(CC)C1CCCNC1.
What is the InChIKey of N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide?
The InChIKey is WVQZWGRVYUGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-9-15-13(17)11-16(4-2)12-7-6-8-14-10-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide?
N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 55245115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).