N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide

C18H30N4O3S — CID 87010050

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)N2CCCCC2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C18H30N4O3S/c1-21(2)16-9-7-15(8-10-16)14-19-18(23)22-13-5-4-6-17(22)11-12-20-26(3,24)25/h7-10,17,20H,4-6,11-14H2,1-3H3,(H,19,23)
InChIKeyOQIGFVNLVUPUMN-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.76
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide (PubChem CID 87010050) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide
PubChem CID87010050
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)N2CCCCC2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C18H30N4O3S/c1-21(2)16-9-7-15(8-10-16)14-19-18(23)22-13-5-4-6-17(22)11-12-20-26(3,24)25/h7-10,17,20H,4-6,11-14H2,1-3H3,(H,19,23)
InChIKeyOQIGFVNLVUPUMN-UHFFFAOYSA-N
XLogP1.76
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.76
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

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
(2S)-2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 94677155
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287
N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide (CID 87010050) is N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide is CN(C)c1ccc(CNC(=O)N2CCCCC2CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide?
The InChIKey is OQIGFVNLVUPUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-21(2)16-9-7-15(8-10-16)14-19-18(23)22-13-5-4-6-17(22)11-12-20-26(3,24)25/h7-10,17,20H,4-6,11-14H2,1-3H3,(H,19,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 87010050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).