1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide

C18H25ClN2O4 — CID 112758761

IUPAC1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCCCC2C(N)=O)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H25ClN2O4/c1-11(2)10-25-16-13(19)8-12(9-15(16)24-3)18(23)21-7-5-4-6-14(21)17(20)22/h8-9,11,14H,4-7,10H2,1-3H3,(H2,20,22)
InChIKeyPSJKFJGWCPYVAX-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.86
Rot. Bonds6

About 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide

1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide (PubChem CID 112758761) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide
PubChem CID112758761
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCCCC2C(N)=O)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H25ClN2O4/c1-11(2)10-25-16-13(19)8-12(9-15(16)24-3)18(23)21-7-5-4-6-14(21)17(20)22/h8-9,11,14H,4-7,10H2,1-3H3,(H2,20,22)
InChIKeyPSJKFJGWCPYVAX-UHFFFAOYSA-N
XLogP2.86
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122114903
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584592
[4-(1-aminoethyl)piperidin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 119518016
(2R)-1-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 125148834
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134045871
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543951
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840
(2S)-1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61136443
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26758161

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide (CID 112758761) is 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide is COc1cc(C(=O)N2CCCCC2C(N)=O)cc(Cl)c1OCC(C)C.
What is the InChIKey of 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide?
The InChIKey is PSJKFJGWCPYVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-11(2)10-25-16-13(19)8-12(9-15(16)24-3)18(23)21-7-5-4-6-14(21)17(20)22/h8-9,11,14H,4-7,10H2,1-3H3,(H2,20,22).
What are the key properties of 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide?
1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-2-carboxamide is sourced from PubChem (CID 112758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).