1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide

C21H25N3O3 — CID 121153963

IUPAC1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)COc3ccc4ccccc4c3)C2)CC1
InChIInChI=1S/C21H25N3O3/c22-21(26)16-7-9-23(10-8-16)18-12-24(13-18)20(25)14-27-19-6-5-15-3-1-2-4-17(15)11-19/h1-6,11,16,18H,7-10,12-14H2,(H2,22,26)
InChIKeyOSLSGASKOQVVLI-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.63
Rot. Bonds5

About 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153963) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153963
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)COc3ccc4ccccc4c3)C2)CC1
InChIInChI=1S/C21H25N3O3/c22-21(26)16-7-9-23(10-8-16)18-12-24(13-18)20(25)14-27-19-6-5-15-3-1-2-4-17(15)11-19/h1-6,11,16,18H,7-10,12-14H2,(H2,22,26)
InChIKeyOSLSGASKOQVVLI-UHFFFAOYSA-N
XLogP1.63
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
CID 131703658
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 16895598
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121153963) is 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)COc3ccc4ccccc4c3)C2)CC1.
What is the InChIKey of 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is OSLSGASKOQVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-21(26)16-7-9-23(10-8-16)18-12-24(13-18)20(25)14-27-19-6-5-15-3-1-2-4-17(15)11-19/h1-6,11,16,18H,7-10,12-14H2,(H2,22,26).
What are the key properties of 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).