N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide

C18H25ClN2O2 — CID 119769965

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCNCC1
InChIInChI=1S/C18H25ClN2O2/c1-23-18(9-11-20-12-10-18)16(22)21-13-17(7-2-8-17)14-3-5-15(19)6-4-14/h3-6,20H,2,7-13H2,1H3,(H,21,22)
InChIKeyLHZSELAYXXJNOF-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.65
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119769965) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119769965
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCNCC1
InChIInChI=1S/C18H25ClN2O2/c1-23-18(9-11-20-12-10-18)16(22)21-13-17(7-2-8-17)14-3-5-15(19)6-4-14/h3-6,20H,2,7-13H2,1H3,(H,21,22)
InChIKeyLHZSELAYXXJNOF-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
CID 119769979
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
4-methoxy-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119812130
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide (CID 119769965) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCNCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is LHZSELAYXXJNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-23-18(9-11-20-12-10-18)16(22)21-13-17(7-2-8-17)14-3-5-15(19)6-4-14/h3-6,20H,2,7-13H2,1H3,(H,21,22).
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119769965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).