N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide

C18H25ClN2O3 — CID 138033878

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide
SMILESCOC1(CO)CCCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C18H25ClN2O3/c1-24-18(12-22)6-3-7-21(11-18)17(23)20-16-9-14(10-16)13-4-2-5-15(19)8-13/h2,4-5,8,14,16,22H,3,6-7,9-12H2,1H3,(H,20,23)
InChIKeyMRAPLMXZNWVUMQ-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.77
Rot. Bonds4

About N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide

N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide (PubChem CID 138033878) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide
PubChem CID138033878
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide
SMILESCOC1(CO)CCCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C18H25ClN2O3/c1-24-18(12-22)6-3-7-21(11-18)17(23)20-16-9-14(10-16)13-4-2-5-15(19)8-13/h2,4-5,8,14,16,22H,3,6-7,9-12H2,1H3,(H,20,23)
InChIKeyMRAPLMXZNWVUMQ-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenyl)cyclopentyl]-4-hydroxypiperidine-1-carboxamide
CID 128692837
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97011138
2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
CID 138032990
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
CID 60782735
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749174

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide (CID 138033878) is N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide is COC1(CO)CCCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide?
The InChIKey is MRAPLMXZNWVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-24-18(12-22)6-3-7-21(11-18)17(23)20-16-9-14(10-16)13-4-2-5-15(19)8-13/h2,4-5,8,14,16,22H,3,6-7,9-12H2,1H3,(H,20,23).
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide?
N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclobutyl]-3-(hydroxymethyl)-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 138033878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).