N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide

C16H33N3O — CID 63849022

IUPACN-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCCC(CNCC(C)C)C1
InChIInChI=1S/C16H33N3O/c1-5-14(4)18-16(20)12-19-8-6-7-15(11-19)10-17-9-13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyUAEIPPRPPBKIQC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.86
Rot. Bonds8

About N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide

N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 63849022) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
PubChem CID63849022
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCCC(CNCC(C)C)C1
InChIInChI=1S/C16H33N3O/c1-5-14(4)18-16(20)12-19-8-6-7-15(11-19)10-17-9-13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyUAEIPPRPPBKIQC-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
CID 49449909
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide (CID 63849022) is N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide is CCC(C)NC(=O)CN1CCCC(CNCC(C)C)C1.
What is the InChIKey of N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is UAEIPPRPPBKIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-14(4)18-16(20)12-19-8-6-7-15(11-19)10-17-9-13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63849022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).