N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

C15H29N3O4S — CID 125009156

IUPACN-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCN(S(=O)(=O)C(C)C)C2)CC1
InChIInChI=1S/C15H29N3O4S/c1-12(2)23(21,22)18-9-6-15(20,11-18)10-17-7-4-14(5-8-17)16-13(3)19/h12,14,20H,4-11H2,1-3H3,(H,16,19)/t15-/m0/s1
InChIKeyVAISZZMOWTUORO-HNNXBMFYSA-N
MW347.48 g/mol
LogP-0.24
Rot. Bonds5

About N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 125009156) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID125009156
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCN(S(=O)(=O)C(C)C)C2)CC1
InChIInChI=1S/C15H29N3O4S/c1-12(2)23(21,22)18-9-6-15(20,11-18)10-17-7-4-14(5-8-17)16-13(3)19/h12,14,20H,4-11H2,1-3H3,(H,16,19)/t15-/m0/s1
InChIKeyVAISZZMOWTUORO-HNNXBMFYSA-N
XLogP-0.24
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124997633
N-[1-[[(4S)-4-hydroxy-1-(2-methylpropanoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125010208
N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124991806
N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124990593
N-[1-[[(4S)-1-(2-cyclohexylacetyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008831
N-[1-[[1-(2-cyclohexylacetyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098093
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 127248093
N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420
N-[1-[[4-hydroxy-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123178
N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129455927
N-[1-[[4-hydroxy-1-[2-(4-methoxyphenyl)acetyl]azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123234
N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 56758793

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 125009156) is N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@@]2(O)CCN(S(=O)(=O)C(C)C)C2)CC1.
What is the InChIKey of N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is VAISZZMOWTUORO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-12(2)23(21,22)18-9-6-15(20,11-18)10-17-7-4-14(5-8-17)16-13(3)19/h12,14,20H,4-11H2,1-3H3,(H,16,19)/t15-/m0/s1.
What are the key properties of N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 347.48 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 125009156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).