3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide

C20H31N3OS — CID 119869797

IUPAC3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1cccc(CN2CCSCC2)c1)C1CCNCC1
InChIInChI=1S/C20H31N3OS/c1-16(18-5-7-21-8-6-18)13-20(24)22-19-4-2-3-17(14-19)15-23-9-11-25-12-10-23/h2-4,14,16,18,21H,5-13,15H2,1H3,(H,22,24)
InChIKeyHXYOJEJKEFOHFE-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.20
Rot. Bonds6

About 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide

3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide (PubChem CID 119869797) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
PubChem CID119869797
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1cccc(CN2CCSCC2)c1)C1CCNCC1
InChIInChI=1S/C20H31N3OS/c1-16(18-5-7-21-8-6-18)13-20(24)22-19-4-2-3-17(14-19)15-23-9-11-25-12-10-23/h2-4,14,16,18,21H,5-13,15H2,1H3,(H,22,24)
InChIKeyHXYOJEJKEFOHFE-UHFFFAOYSA-N
XLogP3.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 119853096
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide (CID 119869797) is 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide is CC(CC(=O)Nc1cccc(CN2CCSCC2)c1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide?
The InChIKey is HXYOJEJKEFOHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-16(18-5-7-21-8-6-18)13-20(24)22-19-4-2-3-17(14-19)15-23-9-11-25-12-10-23/h2-4,14,16,18,21H,5-13,15H2,1H3,(H,22,24).
What are the key properties of 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide?
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide has a molecular weight of 361.56 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 119869797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).