2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide

C16H29N3O2 — CID 63849559

IUPAC2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCCCC1CNC1CC1)NC1CCOCC1
InChIInChI=1S/C16H29N3O2/c20-16(18-14-6-9-21-10-7-14)12-19-8-2-1-3-15(19)11-17-13-4-5-13/h13-15,17H,1-12H2,(H,18,20)
InChIKeyARASDTKSBBEHJI-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.89
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide

2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 63849559) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID63849559
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCCCC1CNC1CC1)NC1CCOCC1
InChIInChI=1S/C16H29N3O2/c20-16(18-14-6-9-21-10-7-14)12-19-8-2-1-3-15(19)11-17-13-4-5-13/h13-15,17H,1-12H2,(H,18,20)
InChIKeyARASDTKSBBEHJI-UHFFFAOYSA-N
XLogP0.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63848204
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63848368
N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 95154417
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125
N-cyclopropyl-2-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 55257989
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63855035
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
N-cycloheptyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690342
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide (CID 63849559) is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide is O=C(CN1CCCCC1CNC1CC1)NC1CCOCC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is ARASDTKSBBEHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-16(18-14-6-9-21-10-7-14)12-19-8-2-1-3-15(19)11-17-13-4-5-13/h13-15,17H,1-12H2,(H,18,20).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide?
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63849559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).