N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide

C21H26N4O3S — CID 96509525

IUPACN-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(Cn2ncc3c(OCc4ccccc4)cccc32)C1
InChIInChI=1S/C21H26N4O3S/c1-29(26,27)23-18-9-6-12-24(14-18)16-25-20-10-5-11-21(19(20)13-22-25)28-15-17-7-3-2-4-8-17/h2-5,7-8,10-11,13,18,23H,6,9,12,14-16H2,1H3/t18-/m1/s1
InChIKeyOMKJEESZVAZPNW-GOSISDBHSA-N
MW414.53 g/mol
LogP2.59
Rot. Bonds7

About N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide

N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 96509525) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide
PubChem CID96509525
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(Cn2ncc3c(OCc4ccccc4)cccc32)C1
InChIInChI=1S/C21H26N4O3S/c1-29(26,27)23-18-9-6-12-24(14-18)16-25-20-10-5-11-21(19(20)13-22-25)28-15-17-7-3-2-4-8-17/h2-5,7-8,10-11,13,18,23H,6,9,12,14-16H2,1H3/t18-/m1/s1
InChIKeyOMKJEESZVAZPNW-GOSISDBHSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 70726913
1-methyl-4-phenylmethoxyindazole
CID 143030970
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
N-[1-[(8-methoxy-5-methyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinolin-2-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 55860301
N-[2-(1-benzylindazol-4-yl)oxyethyl]thian-4-amine
CID 20814988
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide
CID 55853401
N-[1-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 126793230
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide (CID 96509525) is N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCN(Cn2ncc3c(OCc4ccccc4)cccc32)C1.
What is the InChIKey of N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is OMKJEESZVAZPNW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-29(26,27)23-18-9-6-12-24(14-18)16-25-20-10-5-11-21(19(20)13-22-25)28-15-17-7-3-2-4-8-17/h2-5,7-8,10-11,13,18,23H,6,9,12,14-16H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 96509525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).