N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine

C23H32N4O3S — CID 166097427

IUPACN-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESCN(CCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-25(12-9-20-5-3-2-4-6-20)21-10-13-27(14-11-21)31(28,29)22-7-8-23(24-19-22)26-15-17-30-18-16-26/h2-8,19,21H,9-18H2,1H3
InChIKeyLNHVANJUVNATBP-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.25
Rot. Bonds7

About N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine

N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166097427) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166097427
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESCN(CCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-25(12-9-20-5-3-2-4-6-20)21-10-13-27(14-11-21)31(28,29)22-7-8-23(24-19-22)26-15-17-30-18-16-26/h2-8,19,21H,9-18H2,1H3
InChIKeyLNHVANJUVNATBP-UHFFFAOYSA-N
XLogP2.25
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine with MolForge

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Related Compounds

N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
1-[5-[4-[benzyl(methyl)amino]piperidin-1-yl]sulfonyl-2-pyridinyl]pyrrolidin-2-one
CID 166097449
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 56876762
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 22109144

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166097427) is N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine is CN(CCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)CC1.
What is the InChIKey of N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is LNHVANJUVNATBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-25(12-9-20-5-3-2-4-6-20)21-10-13-27(14-11-21)31(28,29)22-7-8-23(24-19-22)26-15-17-30-18-16-26/h2-8,19,21H,9-18H2,1H3.
What are the key properties of N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine?
N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 444.60 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166097427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).