N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide

C14H25N3O2S — CID 47057659

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C14H25N3O2S/c1-10(20-2)14(19)16-12-5-7-17(8-6-12)9-13(18)15-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyAPIHREYYUZOWEE-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.60
Rot. Bonds6

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide (PubChem CID 47057659) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide
PubChem CID47057659
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C14H25N3O2S/c1-10(20-2)14(19)16-12-5-7-17(8-6-12)9-13(18)15-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyAPIHREYYUZOWEE-UHFFFAOYSA-N
XLogP0.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-ethoxypropanamide
CID 51093329
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
N-(4,4-difluorocyclohexyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 171662917
N-(1-ethylpiperidin-4-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95335405
2-(azepan-1-yl)-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]acetamide
CID 131905976
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
N-(1-acetylpiperidin-4-yl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 78847459
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopentylacetamide
CID 107160510
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 107407896
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide (CID 47057659) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide is CSC(C)C(=O)NC1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide?
The InChIKey is APIHREYYUZOWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(20-2)14(19)16-12-5-7-17(8-6-12)9-13(18)15-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide has a molecular weight of 299.44 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 47057659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).