2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide

C12H25N3O2 — CID 62536800

IUPAC2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(C)COC)CC1
InChIInChI=1S/C12H25N3O2/c1-10(9-17-3)14-11-4-6-15(7-5-11)8-12(16)13-2/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyJYAVAYBPCKKFES-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds6

About 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 62536800) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID62536800
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(C)COC)CC1
InChIInChI=1S/C12H25N3O2/c1-10(9-17-3)14-11-4-6-15(7-5-11)8-12(16)13-2/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyJYAVAYBPCKKFES-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
CID 103388270
N-(1-methoxypropan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717917
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
N-(1-methoxypropan-2-yl)-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853257
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
CID 95201002
2-[4-(heptan-3-ylamino)piperidin-1-yl]-N-methylacetamide
CID 63944334
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide (CID 62536800) is 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC(C)COC)CC1.
What is the InChIKey of 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is JYAVAYBPCKKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(9-17-3)14-11-4-6-15(7-5-11)8-12(16)13-2/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 62536800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).