N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide

C14H28N4O2 — CID 106636505

IUPACN-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CC1CCCNC1
InChIInChI=1S/C14H28N4O2/c1-3-4-8-16-14(20)17-13(19)11-18(2)10-12-6-5-7-15-9-12/h12,15H,3-11H2,1-2H3,(H2,16,17,19,20)
InChIKeyWIIVEFBVWFZDKC-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.54
Rot. Bonds7

About N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide

N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide (PubChem CID 106636505) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
PubChem CID106636505
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CC1CCCNC1
InChIInChI=1S/C14H28N4O2/c1-3-4-8-16-14(20)17-13(19)11-18(2)10-12-6-5-7-15-9-12/h12,15H,3-11H2,1-2H3,(H2,16,17,19,20)
InChIKeyWIIVEFBVWFZDKC-UHFFFAOYSA-N
XLogP0.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
N-(2-methylbutan-2-yl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636496
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
CID 106636555
1-butyl-3-(1-piperidin-3-ylethyl)urea
CID 43523386
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
N-(4-methylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815598
N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 55245115
N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334696
N-(2,6-dimethylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815623
N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride
CID 119931387

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide (CID 106636505) is N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide is CCCCNC(=O)NC(=O)CN(C)CC1CCCNC1.
What is the InChIKey of N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide?
The InChIKey is WIIVEFBVWFZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-4-8-16-14(20)17-13(19)11-18(2)10-12-6-5-7-15-9-12/h12,15H,3-11H2,1-2H3,(H2,16,17,19,20).
What are the key properties of N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide?
N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide has a molecular weight of 284.40 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 106636505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).