N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide

C16H31N3O2 — CID 63241627

IUPACN-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)NCC1CCCN(CC(=O)NC2CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)17-10-14-4-3-7-19(11-14)12-16(20)18-15-5-8-21-9-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyNTBBDSZKIHWPOU-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.99
Rot. Bonds6

About N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide

N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 63241627) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
PubChem CID63241627
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)NCC1CCCN(CC(=O)NC2CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)17-10-14-4-3-7-19(11-14)12-16(20)18-15-5-8-21-9-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyNTBBDSZKIHWPOU-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
CID 119920439
2-(3-hydroxypiperidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63097682
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide (CID 63241627) is N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide is CC(C)NCC1CCCN(CC(=O)NC2CCOCC2)C1.
What is the InChIKey of N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is NTBBDSZKIHWPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)17-10-14-4-3-7-19(11-14)12-16(20)18-15-5-8-21-9-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63241627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).