2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide

C17H35N3O — CID 63248800

IUPAC2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCNCC1CCN(CC(=O)NC(C)CCCC(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-14(2)6-5-7-15(3)19-17(21)13-20-10-8-16(9-11-20)12-18-4/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeySHQFVFHSRIDGGK-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.25
Rot. Bonds9

About 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 63248800) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
PubChem CID63248800
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCNCC1CCN(CC(=O)NC(C)CCCC(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-14(2)6-5-7-15(3)19-17(21)13-20-10-8-16(9-11-20)12-18-4/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeySHQFVFHSRIDGGK-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683854
propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
CID 63248775
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide
CID 60542704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide (CID 63248800) is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide is CNCC1CCN(CC(=O)NC(C)CCCC(C)C)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is SHQFVFHSRIDGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)6-5-7-15(3)19-17(21)13-20-10-8-16(9-11-20)12-18-4/h14-16,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 63248800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).