3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide

C19H28Cl2N2O — CID 100596826

IUPAC3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O/c1-2-16-6-3-4-12-23(16)13-5-11-22-19(24)10-8-15-7-9-17(20)18(21)14-15/h7,9,14,16H,2-6,8,10-13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyHKYHNDGHWXBEEV-MRXNPFEDSA-N
MW371.35 g/mol
LogP4.70
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide

3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide (PubChem CID 100596826) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
PubChem CID100596826
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O/c1-2-16-6-3-4-12-23(16)13-5-11-22-19(24)10-8-15-7-9-17(20)18(21)14-15/h7,9,14,16H,2-6,8,10-13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyHKYHNDGHWXBEEV-MRXNPFEDSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133265295
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
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
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43898491
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43896302
3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide (CID 100596826) is 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide is CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide?
The InChIKey is HKYHNDGHWXBEEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28Cl2N2O/c1-2-16-6-3-4-12-23(16)13-5-11-22-19(24)10-8-15-7-9-17(20)18(21)14-15/h7,9,14,16H,2-6,8,10-13H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide?
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide has a molecular weight of 371.35 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 100596826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).