1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide

C18H19BrN2O3 — CID 1300403

IUPAC1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C18H19BrN2O3/c19-17-14-4-2-1-3-12(14)5-6-15(17)24-11-16(22)21-9-7-13(8-10-21)18(20)23/h1-6,13H,7-11H2,(H2,20,23)
InChIKeyNULWVCNDKYCFPH-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide

1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide (PubChem CID 1300403) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide
PubChem CID1300403
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C18H19BrN2O3/c19-17-14-4-2-1-3-12(14)5-6-15(17)24-11-16(22)21-9-7-13(8-10-21)18(20)23/h1-6,13H,7-11H2,(H2,20,23)
InChIKeyNULWVCNDKYCFPH-UHFFFAOYSA-N
XLogP2.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[(1-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 703709
1-[2-(Naphthalen-1-yloxy)-acetyl]-piperidine-4-carboxylic acid amide
CID 773946
4-{[(1-Bromo-2-naphthyl)oxy]acetyl}morpholine
CID 1010736
1-{2-[(1-Bromo-2-naphthyl)oxy]ethyl}-3-methylpiperidine oxalate
CID 2935862
1-{[(6-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 2994958
4-{[(1,6-Dibromo-2-naphthyl)oxy]acetyl}morpholine
CID 1013700
2-(6-Bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
CID 2455427
1-[2-(Naphthalen-2-yloxy)-acetyl]-piperidine-4-carboxylic acid amide
CID 1117184
2-[(1-Bromo-2-naphthalenyl)oxy]-1-(1-piperidinyl)ethanone
CID 675984
1-{[(1-Bromo-2-naphthyl)oxy]acetyl}-4-methylpiperazine
CID 1301012
Ethyl 4-{[(1-bromo-2-naphthyl)oxy]acetyl}-1-piperazinecarboxylate
CID 2959558
2-(1-Bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide (CID 1300403) is 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1.
What is the InChIKey of 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide?
The InChIKey is NULWVCNDKYCFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-17-14-4-2-1-3-12(14)5-6-15(17)24-11-16(22)21-9-7-13(8-10-21)18(20)23/h1-6,13H,7-11H2,(H2,20,23).
What are the key properties of 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide?
1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1300403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).