3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine

C23H34N4O2S — CID 42196622

IUPAC3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCCCCn1c(CN2CCCC[C@H]2c2cccnc2)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C23H34N4O2S/c1-2-3-14-27-21(16-25-23(27)30(28,29)18-19-8-6-9-19)17-26-13-5-4-11-22(26)20-10-7-12-24-15-20/h7,10,12,15-16,19,22H,2-6,8-9,11,13-14,17-18H2,1H3/t22-/m0/s1
InChIKeyPERIUOJMWUKCTA-QFIPXVFZSA-N
MW430.62 g/mol
LogP4.38
Rot. Bonds9

About 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine

3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 42196622) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID42196622
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCCCCn1c(CN2CCCC[C@H]2c2cccnc2)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C23H34N4O2S/c1-2-3-14-27-21(16-25-23(27)30(28,29)18-19-8-6-9-19)17-26-13-5-4-11-22(26)20-10-7-12-24-15-20/h7,10,12,15-16,19,22H,2-6,8-9,11,13-14,17-18H2,1H3/t22-/m0/s1
InChIKeyPERIUOJMWUKCTA-QFIPXVFZSA-N
XLogP4.38
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine with MolForge

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Related Compounds

3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 45207226
1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine
CID 29087003
(3R)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 51635946
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 45252050
2-[(2S)-1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25286200
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
(1S)-N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42196966
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 42196622) is 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine is CCCCn1c(CN2CCCC[C@H]2c2cccnc2)cnc1S(=O)(=O)CC1CCC1.
What is the InChIKey of 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is PERIUOJMWUKCTA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-2-3-14-27-21(16-25-23(27)30(28,29)18-19-8-6-9-19)17-26-13-5-4-11-22(26)20-10-7-12-24-15-20/h7,10,12,15-16,19,22H,2-6,8-9,11,13-14,17-18H2,1H3/t22-/m0/s1.
What are the key properties of 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine has a molecular weight of 430.62 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 42196622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).