(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide

C14H21N3O3S — CID 94640128

IUPAC(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-9-11-4-6-13(7-5-11)17-8-2-3-12(10-17)14(15)18/h4-7,12,16H,2-3,8-10H2,1H3,(H2,15,18)/t12-/m1/s1
InChIKeyQHICAPZILJSDEF-GFCCVEGCSA-N
MW311.41 g/mol
LogP0.44
Rot. Bonds5

About (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide

(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide (PubChem CID 94640128) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
PubChem CID94640128
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-9-11-4-6-13(7-5-11)17-8-2-3-12(10-17)14(15)18/h4-7,12,16H,2-3,8-10H2,1H3,(H2,15,18)/t12-/m1/s1
InChIKeyQHICAPZILJSDEF-GFCCVEGCSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide
CID 154797334

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide (CID 94640128) is (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide is CS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is QHICAPZILJSDEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)16-9-11-4-6-13(7-5-11)17-8-2-3-12(10-17)14(15)18/h4-7,12,16H,2-3,8-10H2,1H3,(H2,15,18)/t12-/m1/s1.
What are the key properties of (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide?
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94640128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).