3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

C19H21ClN2O2 — CID 67240356

IUPAC3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-18-9-6-14(11-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyZBNVJXGGHHKIFD-OAHLLOKOSA-N
MW344.84 g/mol
LogP4.07
Rot. Bonds4

About 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 67240356) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID67240356
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-18-9-6-14(11-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyZBNVJXGGHHKIFD-OAHLLOKOSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 67240356) is 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is ZBNVJXGGHHKIFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-9-6-14(11-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 67240356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).