N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide

C19H27ClN2O3 — CID 108555592

IUPACN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C19H27ClN2O3/c1-4-13(5-2)18(23)21-15-8-10-22(11-9-15)19(24)16-12-14(20)6-7-17(16)25-3/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,23)
InChIKeyBGMIBJFUTIPXTF-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108555592) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
PubChem CID108555592
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C19H27ClN2O3/c1-4-13(5-2)18(23)21-15-8-10-22(11-9-15)19(24)16-12-14(20)6-7-17(16)25-3/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,23)
InChIKeyBGMIBJFUTIPXTF-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569664
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553430
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide (CID 108555592) is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is BGMIBJFUTIPXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-4-13(5-2)18(23)21-15-8-10-22(11-9-15)19(24)16-12-14(20)6-7-17(16)25-3/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide?
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 366.89 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 108555592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).