1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide

C17H22BrN3O2 — CID 121153974

IUPAC1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)Cc3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-14-3-1-12(2-4-14)9-16(22)21-10-15(11-21)20-7-5-13(6-8-20)17(19)23/h1-4,13,15H,5-11H2,(H2,19,23)
InChIKeyAUPMGPNFQBOPNS-UHFFFAOYSA-N
MW380.29 g/mol
LogP1.40
Rot. Bonds4

About 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153974) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153974
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)Cc3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-14-3-1-12(2-4-14)9-16(22)21-10-15(11-21)20-7-5-13(6-8-20)17(19)23/h1-4,13,15H,5-11H2,(H2,19,23)
InChIKeyAUPMGPNFQBOPNS-UHFFFAOYSA-N
XLogP1.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
1-[1-[3-[5-bromo-2-(difluoromethoxy)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153933
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153923
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153914
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121153974) is 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)Cc3ccc(Br)cc3)C2)CC1.
What is the InChIKey of 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is AUPMGPNFQBOPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c18-14-3-1-12(2-4-14)9-16(22)21-10-15(11-21)20-7-5-13(6-8-20)17(19)23/h1-4,13,15H,5-11H2,(H2,19,23).
What are the key properties of 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).