N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide

C16H33N3O — CID 60673190

IUPACN-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
SMILESCC(C)CCNC(=O)CNCCCN1CCCCC1C
InChIInChI=1S/C16H33N3O/c1-14(2)8-10-18-16(20)13-17-9-6-12-19-11-5-4-7-15(19)3/h14-15,17H,4-13H2,1-3H3,(H,18,20)
InChIKeyMHBJRNKPWWHJPI-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds9

About N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide

N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide (PubChem CID 60673190) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
PubChem CID60673190
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
SMILESCC(C)CCNC(=O)CNCCCN1CCCCC1C
InChIInChI=1S/C16H33N3O/c1-14(2)8-10-18-16(20)13-17-9-6-12-19-11-5-4-7-15(19)3/h14-15,17H,4-13H2,1-3H3,(H,18,20)
InChIKeyMHBJRNKPWWHJPI-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
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-(3-methylbutan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60696032
N-carbamoyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179746
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43312067
N,N-diethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179739
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2,2-dimethyl-4-[3-(2-methylpiperidin-1-yl)propylamino]-4-oxobutanoic acid
CID 65297461

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide (CID 60673190) is N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide is CC(C)CCNC(=O)CNCCCN1CCCCC1C.
What is the InChIKey of N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
The InChIKey is MHBJRNKPWWHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)8-10-18-16(20)13-17-9-6-12-19-11-5-4-7-15(19)3/h14-15,17H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide is sourced from PubChem (CID 60673190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).