5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide

C18H27ClN2O2 — CID 100529518

IUPAC5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C18H27ClN2O2/c1-3-15-7-4-5-11-21(15)12-6-10-20-18(22)16-13-14(19)8-9-17(16)23-2/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPNPZAWZSNNYZCZ-HNNXBMFYSA-N
MW338.88 g/mol
LogP3.73
Rot. Bonds7

About 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide

5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide (PubChem CID 100529518) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
PubChem CID100529518
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C18H27ClN2O2/c1-3-15-7-4-5-11-21(15)12-6-10-20-18(22)16-13-14(19)8-9-17(16)23-2/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPNPZAWZSNNYZCZ-HNNXBMFYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
1-(3-chloro-4-methoxyphenyl)-3-[3-(2-ethylpiperidin-1-yl)propyl]thiourea
CID 133154550
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125042996
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
(2R)-2-(3-chlorophenoxy)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 94018587

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide (CID 100529518) is 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide is CC[C@H]1CCCCN1CCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide?
The InChIKey is PNPZAWZSNNYZCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-3-15-7-4-5-11-21(15)12-6-10-20-18(22)16-13-14(19)8-9-17(16)23-2/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide?
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide has a molecular weight of 338.88 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 100529518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).