N-methyl-3-[(2S)-piperidin-2-yl]propanamide

C9H18N2O — CID 94374343

IUPACN-methyl-3-[(2S)-piperidin-2-yl]propanamide
SMILESCNC(=O)CC[C@@H]1CCCCN1
InChIInChI=1S/C9H18N2O/c1-10-9(12)6-5-8-4-2-3-7-11-8/h8,11H,2-7H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyWIFUHGQDGIJRFP-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.65
Rot. Bonds3

About N-methyl-3-[(2S)-piperidin-2-yl]propanamide

N-methyl-3-[(2S)-piperidin-2-yl]propanamide (PubChem CID 94374343) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-3-[(2S)-piperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-piperidin-2-yl]propanamide
PubChem CID94374343
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-3-[(2S)-piperidin-2-yl]propanamide
SMILESCNC(=O)CC[C@@H]1CCCCN1
InChIInChI=1S/C9H18N2O/c1-10-9(12)6-5-8-4-2-3-7-11-8/h8,11H,2-7H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyWIFUHGQDGIJRFP-QMMMGPOBSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(3-piperidin-2-ylpropanoylamino)propanamide
CID 62212327
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
CID 114010587
N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
CID 154936756
3-(azepan-2-yl)propanoic acid
CID 69475849
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
N-(4-hydroxycyclohexyl)-3-piperidin-2-ylpropanamide
CID 62212049
N-(2-hydroxycyclohexyl)-3-piperidin-2-ylpropanamide
CID 55064327

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-piperidin-2-yl]propanamide?
The IUPAC name of N-methyl-3-[(2S)-piperidin-2-yl]propanamide (CID 94374343) is N-methyl-3-[(2S)-piperidin-2-yl]propanamide.
What is the SMILES notation for N-methyl-3-[(2S)-piperidin-2-yl]propanamide?
The canonical SMILES for N-methyl-3-[(2S)-piperidin-2-yl]propanamide is CNC(=O)CC[C@@H]1CCCCN1.
What is the InChIKey of N-methyl-3-[(2S)-piperidin-2-yl]propanamide?
The InChIKey is WIFUHGQDGIJRFP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-9(12)6-5-8-4-2-3-7-11-8/h8,11H,2-7H2,1H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-methyl-3-[(2S)-piperidin-2-yl]propanamide?
N-methyl-3-[(2S)-piperidin-2-yl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-piperidin-2-yl]propanamide is sourced from PubChem (CID 94374343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).