N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide

C21H28N4O3S — CID 137462003

IUPACN-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(NS(C)(=O)=O)C1Cc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C21H28N4O3S/c1-3-22-21(26)25-13-7-10-19(24-29(2,27)28)20(25)15-18-14-17(11-12-23-18)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19-20,24H,3,7,10,13,15H2,1-2H3,(H,22,26)
InChIKeyUNUMGTPSZGWBJN-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide

N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 137462003) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID137462003
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(NS(C)(=O)=O)C1Cc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C21H28N4O3S/c1-3-22-21(26)25-13-7-10-19(24-29(2,27)28)20(25)15-18-14-17(11-12-23-18)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19-20,24H,3,7,10,13,15H2,1-2H3,(H,22,26)
InChIKeyUNUMGTPSZGWBJN-UHFFFAOYSA-N
XLogP2.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide
CID 137461154
(2S,3S)-N-ethyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 137461333
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 137461096
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
N-ethyl-3-(methanesulfonamido)-2-[[3-[(3-methylphenyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 137461550
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805
N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide
CID 175701643
N-[(2S,3S)-1-(2,2-difluoroacetyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 137462211
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide (CID 137462003) is N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(NS(C)(=O)=O)C1Cc1cc(-c2ccccc2)ccn1.
What is the InChIKey of N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is UNUMGTPSZGWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-3-22-21(26)25-13-7-10-19(24-29(2,27)28)20(25)15-18-14-17(11-12-23-18)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19-20,24H,3,7,10,13,15H2,1-2H3,(H,22,26).
What are the key properties of N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 137462003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).