N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

C17H20ClN3O2 — CID 167970559

IUPACN-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(CO)CC1)Nc1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C17H20ClN3O2/c18-14-3-1-13-2-4-16(19-15(13)9-14)20-17(23)10-21-7-5-12(11-22)6-8-21/h1-4,9,12,22H,5-8,10-11H2,(H,19,20,23)
InChIKeyHIVLKEYHFGZYRG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.53
Rot. Bonds4

About N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 167970559) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID167970559
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(CO)CC1)Nc1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C17H20ClN3O2/c18-14-3-1-13-2-4-16(19-15(13)9-14)20-17(23)10-21-7-5-12(11-22)6-8-21/h1-4,9,12,22H,5-8,10-11H2,(H,19,20,23)
InChIKeyHIVLKEYHFGZYRG-UHFFFAOYSA-N
XLogP2.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 60510321
N-(4-chloro-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371379
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 167970559) is N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCC(CO)CC1)Nc1ccc2ccc(Cl)cc2n1.
What is the InChIKey of N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is HIVLKEYHFGZYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-3-1-13-2-4-16(19-15(13)9-14)20-17(23)10-21-7-5-12(11-22)6-8-21/h1-4,9,12,22H,5-8,10-11H2,(H,19,20,23).
What are the key properties of N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 167970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).