3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide

C12H25N3O — CID 106632108

IUPAC3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(N)=O)CC1CCCCN1
InChIInChI=1S/C12H25N3O/c1-10(2)15(8-6-12(13)16)9-11-5-3-4-7-14-11/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyOXPSDVYRINJWFS-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide

3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide (PubChem CID 106632108) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
PubChem CID106632108
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(N)=O)CC1CCCCN1
InChIInChI=1S/C12H25N3O/c1-10(2)15(8-6-12(13)16)9-11-5-3-4-7-14-11/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyOXPSDVYRINJWFS-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632099
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614633
N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106728112
N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
CID 106614697
(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
CID 106632187
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
N-(2-piperidin-1-ylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631959
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
The IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide (CID 106632108) is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide is CC(C)N(CCC(N)=O)CC1CCCCN1.
What is the InChIKey of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
The InChIKey is OXPSDVYRINJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)15(8-6-12(13)16)9-11-5-3-4-7-14-11/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 106632108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).