1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide

C18H23Cl2N3O2 — CID 121153914

IUPAC1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCc3c(Cl)cccc3Cl)C2)CC1
InChIInChI=1S/C18H23Cl2N3O2/c19-15-2-1-3-16(20)14(15)4-5-17(24)23-10-13(11-23)22-8-6-12(7-9-22)18(21)25/h1-3,12-13H,4-11H2,(H2,21,25)
InChIKeyAOFMKFHQBZIESI-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.33
Rot. Bonds5

About 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153914) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153914
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCc3c(Cl)cccc3Cl)C2)CC1
InChIInChI=1S/C18H23Cl2N3O2/c19-15-2-1-3-16(20)14(15)4-5-17(24)23-10-13(11-23)22-8-6-12(7-9-22)18(21)25/h1-3,12-13H,4-11H2,(H2,21,25)
InChIKeyAOFMKFHQBZIESI-UHFFFAOYSA-N
XLogP2.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153923
1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153894
1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153974
1-[1-[3-[5-bromo-2-(difluoromethoxy)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153933
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963
1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153899
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121153914) is 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)CCc3c(Cl)cccc3Cl)C2)CC1.
What is the InChIKey of 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is AOFMKFHQBZIESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-15-2-1-3-16(20)14(15)4-5-17(24)23-10-13(11-23)22-8-6-12(7-9-22)18(21)25/h1-3,12-13H,4-11H2,(H2,21,25).
What are the key properties of 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).