N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide

C10H20N2O2 — CID 79159288

IUPACN-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N[C@@H](C)CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8-3-5-12(6-4-8)10(14)11-9(2)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m0/s1
InChIKeyMBDKKSXPZRWEPB-VIFPVBQESA-N
MW200.28 g/mol
LogP0.81
Rot. Bonds2

About N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 79159288) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID79159288
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N[C@@H](C)CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8-3-5-12(6-4-8)10(14)11-9(2)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m0/s1
InChIKeyMBDKKSXPZRWEPB-VIFPVBQESA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 96683106
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
CID 130609050
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
N-(3-ethylpentan-2-yl)-4-methylpiperidine-1-carboxamide
CID 115619164
N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide
CID 79162512
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
N-(1-cyanoethyl)-4-methylpiperidine-1-carboxamide
CID 79160605

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide (CID 79159288) is N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)N[C@@H](C)CO)CC1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is MBDKKSXPZRWEPB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-3-5-12(6-4-8)10(14)11-9(2)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).