5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide

C19H21ClN2O3 — CID 67928776

IUPAC5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide
SMILESCO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-12-21-10-9-16(18)22-19(23)15-11-13(20)7-8-17(15)25-14-5-3-2-4-6-14/h2-8,11,16,18,21H,9-10,12H2,1H3,(H,22,23)/t16-,18+/m0/s1
InChIKeyBRDZJWOINWNUJV-FUHWJXTLSA-N
MW360.84 g/mol
LogP3.24
Rot. Bonds5

About 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide

5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide (PubChem CID 67928776) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide
PubChem CID67928776
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide
SMILESCO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-12-21-10-9-16(18)22-19(23)15-11-13(20)7-8-17(15)25-14-5-3-2-4-6-14/h2-8,11,16,18,21H,9-10,12H2,1H3,(H,22,23)/t16-,18+/m0/s1
InChIKeyBRDZJWOINWNUJV-FUHWJXTLSA-N
XLogP3.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
CID 119449786
4-amino-5-chloro-N-[(3S,4R)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 54178667
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
4-amino-5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-[(2S)-pent-3-yn-2-yl]oxybenzamide;hydrochloride
CID 69232530
N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 54389521
5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
CID 119386925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide?
The IUPAC name of 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide (CID 67928776) is 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide?
The canonical SMILES for 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide is CO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide?
The InChIKey is BRDZJWOINWNUJV-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-18-12-21-10-9-16(18)22-19(23)15-11-13(20)7-8-17(15)25-14-5-3-2-4-6-14/h2-8,11,16,18,21H,9-10,12H2,1H3,(H,22,23)/t16-,18+/m0/s1.
What are the key properties of 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide?
5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide is sourced from PubChem (CID 67928776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).