4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C19H30ClN3O4S — CID 120623903

IUPAC4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-15-19(8-10-20-11-9-19)18(23)21-14-16-4-6-17(7-5-16)27(24,25)22-12-2-3-13-22;/h4-7,20H,2-3,8-15H2,1H3,(H,21,23);1H
InChIKeyCPEIGYCNMXWILK-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.53
Rot. Bonds7

About 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120623903) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120623903
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-15-19(8-10-20-11-9-19)18(23)21-14-16-4-6-17(7-5-16)27(24,25)22-12-2-3-13-22;/h4-7,20H,2-3,8-15H2,1H3,(H,21,23);1H
InChIKeyCPEIGYCNMXWILK-UHFFFAOYSA-N
XLogP1.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645726
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120625185
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 51246958
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645298
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120623903) is 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CPEIGYCNMXWILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-26-15-19(8-10-20-11-9-19)18(23)21-14-16-4-6-17(7-5-16)27(24,25)22-12-2-3-13-22;/h4-7,20H,2-3,8-15H2,1H3,(H,21,23);1H.
What are the key properties of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).