(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide

C14H22N4O4S — CID 94031810

IUPAC(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H22N4O4S/c1-22-13-6-5-12(9-15-13)17-14(19)18-7-3-4-11(10-18)8-16-23(2,20)21/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyHCLYTLWOZWUDQS-NSHDSACASA-N
MW342.42 g/mol
LogP0.88
Rot. Bonds5

About (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide

(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 94031810) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
PubChem CID94031810
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H22N4O4S/c1-22-13-6-5-12(9-15-13)17-14(19)18-7-3-4-11(10-18)8-16-23(2,20)21/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyHCLYTLWOZWUDQS-NSHDSACASA-N
XLogP0.88
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 95273174
(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139251
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
(3S)-N-(4-cyanophenyl)-3-[(sulfamoylamino)methyl]piperidine-1-carboxamide
CID 95140759
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide (CID 94031810) is (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1.
What is the InChIKey of (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is HCLYTLWOZWUDQS-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-22-13-6-5-12(9-15-13)17-14(19)18-7-3-4-11(10-18)8-16-23(2,20)21/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 94031810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).