4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide

C19H29N3O2S — CID 120645739

IUPAC4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCNCC1
InChIInChI=1S/C19H29N3O2S/c1-24-15-19(5-7-20-8-6-19)18(23)21-17-4-2-3-16(13-17)14-22-9-11-25-12-10-22/h2-4,13,20H,5-12,14-15H2,1H3,(H,21,23)
InChIKeyFDUZHXFKBJEEEY-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.19
Rot. Bonds6

About 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 120645739) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID120645739
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCNCC1
InChIInChI=1S/C19H29N3O2S/c1-24-15-19(5-7-20-8-6-19)18(23)21-17-4-2-3-16(13-17)14-22-9-11-25-12-10-22/h2-4,13,20H,5-12,14-15H2,1H3,(H,21,23)
InChIKeyFDUZHXFKBJEEEY-UHFFFAOYSA-N
XLogP2.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645907
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (CID 120645739) is 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is COCC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is FDUZHXFKBJEEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-24-15-19(5-7-20-8-6-19)18(23)21-17-4-2-3-16(13-17)14-22-9-11-25-12-10-22/h2-4,13,20H,5-12,14-15H2,1H3,(H,21,23).
What are the key properties of 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120645739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).