3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide

C13H27N3O2 — CID 95314387

IUPAC3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
SMILESC[C@H](O)CN1CCC(CN(C)CCC(N)=O)CC1
InChIInChI=1S/C13H27N3O2/c1-11(17)9-16-7-3-12(4-8-16)10-15(2)6-5-13(14)18/h11-12,17H,3-10H2,1-2H3,(H2,14,18)/t11-/m0/s1
InChIKeyVTRMYVIGHMSHLA-NSHDSACASA-N
MW257.38 g/mol
LogP-0.11
Rot. Bonds7

About 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide

3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide (PubChem CID 95314387) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide.

Molecular Properties

Compound Name3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
PubChem CID95314387
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
SMILESC[C@H](O)CN1CCC(CN(C)CCC(N)=O)CC1
InChIInChI=1S/C13H27N3O2/c1-11(17)9-16-7-3-12(4-8-16)10-15(2)6-5-13(14)18/h11-12,17H,3-10H2,1-2H3,(H2,14,18)/t11-/m0/s1
InChIKeyVTRMYVIGHMSHLA-NSHDSACASA-N
XLogP-0.11
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95314347
4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951
(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 97087148
3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
CID 120503814
(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95327699
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86893871
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide?
The IUPAC name of 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide (CID 95314387) is 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide.
What is the SMILES notation for 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide?
The canonical SMILES for 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide is C[C@H](O)CN1CCC(CN(C)CCC(N)=O)CC1.
What is the InChIKey of 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide?
The InChIKey is VTRMYVIGHMSHLA-NSHDSACASA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(17)9-16-7-3-12(4-8-16)10-15(2)6-5-13(14)18/h11-12,17H,3-10H2,1-2H3,(H2,14,18)/t11-/m0/s1.
What are the key properties of 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide?
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 95314387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).