N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide

C16H23ClN2O3 — CID 110904200

IUPACN-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(Cl)ccc1OCCCNC(=O)N1CCCC(O)C1
InChIInChI=1S/C16H23ClN2O3/c1-12-10-13(17)5-6-15(12)22-9-3-7-18-16(21)19-8-2-4-14(20)11-19/h5-6,10,14,20H,2-4,7-9,11H2,1H3,(H,18,21)
InChIKeySCQCZXHYOKLPDC-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.58
Rot. Bonds5

About N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide

N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 110904200) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID110904200
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(Cl)ccc1OCCCNC(=O)N1CCCC(O)C1
InChIInChI=1S/C16H23ClN2O3/c1-12-10-13(17)5-6-15(12)22-9-3-7-18-16(21)19-8-2-4-14(20)11-19/h5-6,10,14,20H,2-4,7-9,11H2,1H3,(H,18,21)
InChIKeySCQCZXHYOKLPDC-UHFFFAOYSA-N
XLogP2.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43390775
4-benzyl-N-[2-(4-chloro-2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112976510
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide
CID 110900873
3-hydroxy-N-[3-(2-methylpropoxy)propyl]piperidine-1-carboxamide
CID 110882664
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112976866
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
N-[3-(4-chloro-2-methylphenoxy)propyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111736020
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide (CID 110904200) is N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide is Cc1cc(Cl)ccc1OCCCNC(=O)N1CCCC(O)C1.
What is the InChIKey of N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is SCQCZXHYOKLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12-10-13(17)5-6-15(12)22-9-3-7-18-16(21)19-8-2-4-14(20)11-19/h5-6,10,14,20H,2-4,7-9,11H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide?
N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 110904200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).