2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide

C15H31N3O — CID 63855304

IUPAC2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)CNCC1CCCCN1CC(=O)NC(C)C
InChIInChI=1S/C15H31N3O/c1-12(2)9-16-10-14-7-5-6-8-18(14)11-15(19)17-13(3)4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeySDJJOTSGKNSBRI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds7

About 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide

2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 63855304) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID63855304
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)CNCC1CCCCN1CC(=O)NC(C)C
InChIInChI=1S/C15H31N3O/c1-12(2)9-16-10-14-7-5-6-8-18(14)11-15(19)17-13(3)4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeySDJJOTSGKNSBRI-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847650
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
CID 82844673
methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 61360608
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847154

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 63855304) is 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)CNCC1CCCCN1CC(=O)NC(C)C.
What is the InChIKey of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SDJJOTSGKNSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)9-16-10-14-7-5-6-8-18(14)11-15(19)17-13(3)4/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 63855304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).