N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide

C22H29N3O5S — CID 87916888

IUPACN-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
SMILESCc1cc(COC2CCN(S(=O)(=O)CC(C3CC3)N(O)C=O)CC2)c2ccccc2n1
InChIInChI=1S/C22H29N3O5S/c1-16-12-18(20-4-2-3-5-21(20)23-16)13-30-19-8-10-24(11-9-19)31(28,29)14-22(17-6-7-17)25(27)15-26/h2-5,12,15,17,19,22,27H,6-11,13-14H2,1H3
InChIKeyYQIHJNZDNCBMEZ-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.48
Rot. Bonds9

About N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide

N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide (PubChem CID 87916888) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
PubChem CID87916888
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
SMILESCc1cc(COC2CCN(S(=O)(=O)CC(C3CC3)N(O)C=O)CC2)c2ccccc2n1
InChIInChI=1S/C22H29N3O5S/c1-16-12-18(20-4-2-3-5-21(20)23-16)13-30-19-8-10-24(11-9-19)31(28,29)14-22(17-6-7-17)25(27)15-26/h2-5,12,15,17,19,22,27H,6-11,13-14H2,1H3
InChIKeyYQIHJNZDNCBMEZ-UHFFFAOYSA-N
XLogP2.48
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 11755373
2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde
CID 87966185
N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
CID 101337934
N-[1-(1-tert-butylpiperidin-4-ylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]-N-hydroxyformamide
CID 101364306
[(1R)-2-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-1-phenylethyl]carbamic acid
CID 90731051
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
CID 23017979
N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
CID 16661250
N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
CID 87917009
(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 10457618
N-hydroxy-N-[(1R)-2-[4-(4-methyl-2-nitrophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]formamide
CID 90996203
N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
CID 58685788
N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide
CID 142241593

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide?
The IUPAC name of N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide (CID 87916888) is N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide?
The canonical SMILES for N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide is Cc1cc(COC2CCN(S(=O)(=O)CC(C3CC3)N(O)C=O)CC2)c2ccccc2n1.
What is the InChIKey of N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide?
The InChIKey is YQIHJNZDNCBMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16-12-18(20-4-2-3-5-21(20)23-16)13-30-19-8-10-24(11-9-19)31(28,29)14-22(17-6-7-17)25(27)15-26/h2-5,12,15,17,19,22,27H,6-11,13-14H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide?
N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide has a molecular weight of 447.56 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide is sourced from PubChem (CID 87916888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).