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

C15H29N3O — CID 63847790

IUPACN-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H29N3O/c1-3-12(2)17-15(19)11-18-8-4-5-13(10-18)9-16-14-6-7-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyRQXJRLJLHPDGTI-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds7

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

N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 63847790) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
PubChem CID63847790
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H29N3O/c1-3-12(2)17-15(19)11-18-8-4-5-13(10-18)9-16-14-6-7-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyRQXJRLJLHPDGTI-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
CID 63847086
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79354897

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide (CID 63847790) is N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide is CCC(C)NC(=O)CN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is RQXJRLJLHPDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-12(2)17-15(19)11-18-8-4-5-13(10-18)9-16-14-6-7-14/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide?
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 7 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-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63847790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).