N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide

C19H22ClN3O2 — CID 118901256

IUPACN-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(C2CCN(CCO)CC2)cc1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-8-21-18(13-17)22-19(25)16-3-1-14(2-4-16)15-6-9-23(10-7-15)11-12-24/h1-5,8,13,15,24H,6-7,9-12H2,(H,21,22,25)
InChIKeySNPWJOKLUMVYLL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.16
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide

N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide (PubChem CID 118901256) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide
PubChem CID118901256
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(C2CCN(CCO)CC2)cc1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-8-21-18(13-17)22-19(25)16-3-1-14(2-4-16)15-6-9-23(10-7-15)11-12-24/h1-5,8,13,15,24H,6-7,9-12H2,(H,21,22,25)
InChIKeySNPWJOKLUMVYLL-UHFFFAOYSA-N
XLogP3.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide (CID 118901256) is N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide is O=C(Nc1cc(Cl)ccn1)c1ccc(C2CCN(CCO)CC2)cc1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide?
The InChIKey is SNPWJOKLUMVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-17-5-8-21-18(13-17)22-19(25)16-3-1-14(2-4-16)15-6-9-23(10-7-15)11-12-24/h1-5,8,13,15,24H,6-7,9-12H2,(H,21,22,25).
What are the key properties of N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide?
N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 118901256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).